1
refund: UserID = d3p975
2
refund: SLURM Job ID = 201092
3
refund: Number of nodes = 9
4
refund: Number of cores per node = 3
5
refund: Number of cores = 27
6
refund: Amount of time requested = 5:00
10
cu01n[138,158,191],cu07n[137,140-141],cu11n[122-124]
12
ARMCI configured for 9 cluster nodes. Network protocol is 'OpenIB Verbs API'.
13
All connections between all procs tested: SUCCESS
14
argument 1 = /mscf/home/d3p975/codes/nwchem-svn/nwchem/QA/tests/tce_qmmm_ccsd_opt/opt-0.nw
18
============================== echo of input deck ==============================
23
permanent_dir /home/d3p975/codes/nwchem-svn/nwchem/QA/tests/tce_qmmm_ccsd_opt/perm
26
set qmmm:bqgrid .true.
66
task qmmm tce optimize
68
================================================================================
75
Northwest Computational Chemistry Package (NWChem) 5.1
76
------------------------------------------------------
79
Environmental Molecular Sciences Laboratory
80
Pacific Northwest National Laboratory
87
COPYRIGHT (C) 1994, 1995, 1996, 1997, 1998, 1999
88
2000, 2001, 2002, 2003, 2004, 2005, 2006, 2007, 2008
89
Pacific Northwest National Laboratory,
90
Battelle Memorial Institute.
92
>>> All Rights Reserved <<<
98
This material was prepared as an account of work sponsored
99
by an agency of the United States Government. Neither the
100
United States Government nor the United States Department
101
of Energy, nor Battelle, nor any of their employees, MAKES
102
ANY WARRANTY, EXPRESS OR IMPLIED, OR ASSUMES ANY LEGAL
103
LIABILITY OR RESPONSIBILITY FOR THE ACCURACY, COMPLETENESS,
104
OR USEFULNESS OF ANY INFORMATION, APPARATUS, PRODUCT,
105
SOFTWARE, OR PROCESS DISCLOSED, OR REPRESENTS THAT ITS USE
106
WOULD NOT INFRINGE PRIVATELY OWNED RIGHTS.
112
This software (including any documentation) is being made
113
available to you for your internal use only, solely for use
114
in performance of work directly for the U.S. Federal
115
Government or work under contracts with the U.S. Department
116
of Energy or other U.S. Federal Government agencies. This
117
software is a version which has not yet been evaluated and
118
cleared for commercialization. Adherence to this notice
119
may be necessary for the author, Battelle Memorial
120
Institute, to successfully assert copyright in and
121
commercialize this software. This software is not intended
122
for duplication or distribution to third parties without
123
the permission of the Manager of Software Products at
124
Pacific Northwest National Laboratory, Richland,
131
This software and its documentation were produced with
132
Government support under Contract Number DE-AC05-76RL01830
133
awarded by the United States Department of Energy. The
134
Government retains a paid-up non-exclusive, irrevocable
135
worldwide license to reproduce, prepare derivative works,
136
perform publicly and display publicly by or for the
137
Government, including the right to distribute to other
138
Government contractors.
145
program = /scratch/nwchem
146
date = Mon Jun 22 19:16:33 2009
148
compiled = Mon_Jun_22_12:28:00_2009
149
source = /home/d3p975/codes/nwchem-svn/nwchem
150
nwchem branch = Development
151
input = /mscf/home/d3p975/codes/nwchem-svn/nwchem/QA/tests/tce_qmmm_ccsd_opt/opt-0.nw
153
data base = /home/d3p975/codes/nwchem-svn/nwchem/QA/tests/tce_qmmm_ccsd_opt/perm/fmd.db
163
heap = 49152001 doubles = 375.0 Mbytes
164
stack = 49152001 doubles = 375.0 Mbytes
165
global = 98304000 doubles = 750.0 Mbytes (distinct from heap & stack)
166
total = 196608002 doubles = 1500.0 Mbytes
171
Directory information
172
---------------------
174
0 permanent = /home/d3p975/codes/nwchem-svn/nwchem/QA/tests/tce_qmmm_ccsd_opt/perm
184
library name resolved from: environment
185
library file name is: </home/d3p975/codes/nwchem-svn/nwchem/src/basis/libraries/>
189
Summary of "ao basis" -> "" (cartesian)
190
------------------------------------------------------------------------------
191
Tag Description Shells Functions and Types
192
---------------- ------------------------------ ------ ---------------------
193
* cc-pVDZ on all atoms
198
****************************************************
199
* NWChem QM/MM Interface Module *
201
* Developed Marat Valiev 2004 *
202
****************************************************
203
QM/MM Interface Parameters
204
--------------------------
205
operation task:operation optimize
206
reference energy qmmm:uqmatm 0.000000 <--- Warning zero value is not advisable !!!
207
bqzone radius qmmm:bqzone 1.500000
208
excluded bq's qmmm:bq_exclude none
209
link atom type qmmm:linkatm hydrogens
210
optimization method qmmm:optimization bfgs
213
ecp on link atoms qmmm:link_ecp auto
214
interface api qmmm:interface qm
215
------------------------------------------------------
219
number of quantum atoms 4
220
Total number of Bq charges 1083
221
Number of solute Bq charges 0
222
Number of solvent Bq charges 1083
223
Total Bq charge: 0.E+0
224
@------------------------------------------------
226
@ QM/MM Multiple Region Optimization
227
@ region1: qm with lbfgs maxiter = 15
228
@ region2: mm with sd maxiter =***
231
@------------------------------------------------
235
@ Optimizing qm region with lbfgs
237
RUNNING THE L-BFGS-B CODE
241
Machine precision = 2.220E-16
243
This problem is unconstrained.
245
At X0 0 variables are exactly at the bounds
246
Total number of active Bq charges 0
247
frozen_density,esp T T
248
disabling frozen_density,esp due to active qm atoms
249
Basis "ao basis" -> "ao basis" (cartesian)
253
Exponent Coefficients
254
-------------- ---------------------------------------------------------
255
1 S 1.17200000E+04 0.000710
256
1 S 1.75900000E+03 0.005470
257
1 S 4.00800000E+02 0.027837
258
1 S 1.13700000E+02 0.104800
259
1 S 3.70300000E+01 0.283062
260
1 S 1.32700000E+01 0.448719
261
1 S 5.02500000E+00 0.270952
262
1 S 1.01300000E+00 0.015458
264
2 S 1.17200000E+04 -0.000160
265
2 S 1.75900000E+03 -0.001263
266
2 S 4.00800000E+02 -0.006267
267
2 S 1.13700000E+02 -0.025716
268
2 S 3.70300000E+01 -0.070924
269
2 S 1.32700000E+01 -0.165411
270
2 S 5.02500000E+00 -0.116955
271
2 S 1.01300000E+00 0.557368
273
3 S 3.02300000E-01 1.000000
275
4 P 1.77000000E+01 0.043018
276
4 P 3.85400000E+00 0.228913
277
4 P 1.04600000E+00 0.508728
279
5 P 2.75300000E-01 1.000000
281
6 D 1.18500000E+00 1.000000
285
Exponent Coefficients
286
-------------- ---------------------------------------------------------
287
1 S 6.66500000E+03 0.000692
288
1 S 1.00000000E+03 0.005329
289
1 S 2.28000000E+02 0.027077
290
1 S 6.47100000E+01 0.101718
291
1 S 2.10600000E+01 0.274740
292
1 S 7.49500000E+00 0.448564
293
1 S 2.79700000E+00 0.285074
294
1 S 5.21500000E-01 0.015204
296
2 S 6.66500000E+03 -0.000146
297
2 S 1.00000000E+03 -0.001154
298
2 S 2.28000000E+02 -0.005725
299
2 S 6.47100000E+01 -0.023312
300
2 S 2.10600000E+01 -0.063955
301
2 S 7.49500000E+00 -0.149981
302
2 S 2.79700000E+00 -0.127262
303
2 S 5.21500000E-01 0.544529
305
3 S 1.59600000E-01 1.000000
307
4 P 9.43900000E+00 0.038109
308
4 P 2.00200000E+00 0.209480
309
4 P 5.45600000E-01 0.508557
311
5 P 1.51700000E-01 1.000000
313
6 D 5.50000000E-01 1.000000
317
Exponent Coefficients
318
-------------- ---------------------------------------------------------
319
1 S 1.30100000E+01 0.019685
320
1 S 1.96200000E+00 0.137977
321
1 S 4.44600000E-01 0.478148
323
2 S 1.22000000E-01 1.000000
325
3 P 7.27000000E-01 1.000000
329
Summary of "ao basis" -> "ao basis" (cartesian)
330
------------------------------------------------------------------------------
331
Tag Description Shells Functions and Types
332
---------------- ------------------------------ ------ ---------------------
333
O cc-pVDZ 6 15 3s2p1d
334
C cc-pVDZ 6 15 3s2p1d
343
ao basis = "ao basis"
350
input vectors = atomic
351
output vectors = /home/d3p975/codes/nwchem-svn/nwchem/QA/tests/tce_qmmm_ccsd_opt/perm/fmd.movecs
356
Summary of "ao basis" -> "ao basis" (cartesian)
357
------------------------------------------------------------------------------
358
Tag Description Shells Functions and Types
359
---------------- ------------------------------ ------ ---------------------
360
O cc-pVDZ 6 15 3s2p1d
361
C cc-pVDZ 6 15 3s2p1d
366
Forming initial guess at 1.2s
369
Superposition of Atomic Density Guess
370
-------------------------------------
372
Sum of atomic energies: -113.42837521
373
Nuclear repulsion energy = 31.048933878950695
374
Bq nuclear interaction energy = 9.93310323805726425E-2
376
Non-variational initial energy
377
------------------------------
379
Total energy = -114.065151
380
1-e energy = -215.752116
381
2-e energy = 70.538700
385
Nuclear repulsion energy = 31.048933878950695
386
Bq nuclear interaction energy = 9.93310323805726425E-2
388
Starting SCF solution at 1.3s
392
----------------------------------------------
393
Quadratically convergent ROHF
395
Convergence threshold : 1.000E-10
396
Maximum no. of iterations : 200
397
Final Fock-matrix accuracy: 0.000E+00
398
----------------------------------------------
401
#quartets = 1.471E+04 #integrals = 3.755E+05 #direct = 0.0% #cached =100.0%
404
Integral file = /scratch/fmd.aoints.00
405
Record size in doubles = 65536 No. of integs per rec = 43688
406
Max. records in memory = 2 Max. records in file = 225827
407
No. of bits per label = 8 No. of bits per value = 64
410
File balance: exchanges= 0 moved= 0 time= 0.0
412
Nuclear repulsion energy = 31.048933878950695
413
Bq nuclear interaction energy = 9.93310323805726425E-2
415
iter energy gnorm gmax time
416
----- ------------------- --------- --------- --------
417
1 -113.8250490285 1.25E+00 5.48E-01 0.8
418
Nuclear repulsion energy = 31.048933878950695
419
Bq nuclear interaction energy = 9.93310323805726425E-2
420
2 -113.9033232785 3.14E-01 1.38E-01 0.9
421
Nuclear repulsion energy = 31.048933878950695
422
Bq nuclear interaction energy = 9.93310323805726425E-2
423
3 -113.9128991988 1.48E-01 4.14E-02 1.0
424
Nuclear repulsion energy = 31.048933878950695
425
Bq nuclear interaction energy = 9.93310323805726425E-2
426
4 -113.9147209554 6.84E-03 3.57E-03 1.1
427
Nuclear repulsion energy = 31.048933878950695
428
Bq nuclear interaction energy = 9.93310323805726425E-2
429
5 -113.9147274819 1.48E-05 8.19E-06 1.3
430
Nuclear repulsion energy = 31.048933878950695
431
Bq nuclear interaction energy = 9.93310323805726425E-2
432
6 -113.9147274819 1.92E-10 7.51E-11 1.7
433
Nuclear repulsion energy = 31.048933878950695
434
Bq nuclear interaction energy = 9.93310323805726425E-2
435
7 -113.9147274819 2.74E-12 1.23E-12 1.8
436
Nuclear repulsion energy = 31.048933878950695
437
Bq nuclear interaction energy = 9.93310323805726425E-2
443
Total SCF energy = -113.914727481933
444
One-electron energy = -217.216946740997
445
Two-electron energy = 72.153954347733
446
Nuclear repulsion energy = 31.148264911331
448
Time for solution = 1.2s
474
ROHF Final Molecular Orbital Analysis
475
-------------------------------------
477
Vector 2 Occ=2.000000E+00 E=-1.134263E+01
478
MO Center= 2.4E-01, 2.2E+00, -5.9E-01, r^2= 2.7E-02
479
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
480
----- ------------ --------------- ----- ------------ ---------------
483
Vector 3 Occ=2.000000E+00 E=-1.395743E+00
484
MO Center= -5.8E-01, 1.8E+00, -5.6E-01, r^2= 5.0E-01
485
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
486
----- ------------ --------------- ----- ------------ ---------------
487
2 0.409285 1 O s 3 0.388508 1 O s
488
17 0.207461 2 C s 19 -0.163827 2 C px
490
Vector 4 Occ=2.000000E+00 E=-8.541026E-01
491
MO Center= 1.9E-01, 2.1E+00, -5.8E-01, r^2= 1.4E+00
492
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
493
----- ------------ --------------- ----- ------------ ---------------
494
17 0.355280 2 C s 3 -0.260604 1 O s
495
18 0.234659 2 C s 31 0.228421 3 H s
496
36 0.225508 4 H s 2 -0.191978 1 O s
499
Vector 5 Occ=2.000000E+00 E=-6.765516E-01
500
MO Center= -1.7E-02, 2.0E+00, -5.8E-01, r^2= 1.3E+00
501
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
502
----- ------------ --------------- ----- ------------ ---------------
503
21 0.368573 2 C pz 6 0.334145 1 O pz
504
36 -0.236008 4 H s 31 0.232701 3 H s
507
Vector 6 Occ=2.000000E+00 E=-6.503454E-01
508
MO Center= -5.0E-01, 1.8E+00, -5.6E-01, r^2= 1.3E+00
509
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
510
----- ------------ --------------- ----- ------------ ---------------
511
4 0.436816 1 O px 19 -0.350723 2 C px
512
7 0.289941 1 O px 3 -0.255260 1 O s
513
5 0.204231 1 O py 20 -0.171170 2 C py
515
Vector 7 Occ=2.000000E+00 E=-5.265854E-01
516
MO Center= -5.5E-01, 1.8E+00, -5.6E-01, r^2= 9.2E-01
517
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
518
----- ------------ --------------- ----- ------------ ---------------
519
5 0.430629 1 O py 8 0.312411 1 O py
520
20 0.262153 2 C py 4 -0.194157 1 O px
521
6 0.183376 1 O pz 23 0.150173 2 C py
523
Vector 8 Occ=2.000000E+00 E=-4.360783E-01
524
MO Center= -2.6E-01, 1.9E+00, -5.7E-01, r^2= 1.6E+00
525
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
526
----- ------------ --------------- ----- ------------ ---------------
527
6 0.485843 1 O pz 9 0.407956 1 O pz
528
31 -0.255691 3 H s 36 0.254840 4 H s
529
21 -0.216506 2 C pz 5 -0.165976 1 O py
531
Vector 9 Occ=0.000000E+00 E= 1.470006E-01
532
MO Center= 4.6E-02, 2.1E+00, -5.8E-01, r^2= 1.7E+00
533
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
534
----- ------------ --------------- ----- ------------ ---------------
535
23 0.583118 2 C py 8 -0.416489 1 O py
536
20 0.369641 2 C py 5 -0.299744 1 O py
537
22 -0.277999 2 C px 24 0.251335 2 C pz
538
7 0.197267 1 O px 9 -0.176581 1 O pz
539
19 -0.174985 2 C px 21 0.157734 2 C pz
541
Vector 10 Occ=0.000000E+00 E= 2.234812E-01
542
MO Center= 9.4E-01, 2.4E+00, -4.4E-01, r^2= 4.0E+00
543
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
544
----- ------------ --------------- ----- ------------ ---------------
545
18 1.914157 2 C s 32 -1.503362 3 H s
546
37 -1.236130 4 H s 22 0.605283 2 C px
547
23 0.257481 2 C py 19 0.165854 2 C px
549
Vector 11 Occ=0.000000E+00 E= 2.913478E-01
550
MO Center= 9.8E-01, 2.6E+00, -7.8E-01, r^2= 4.1E+00
551
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
552
----- ------------ --------------- ----- ------------ ---------------
553
37 1.931063 4 H s 32 -1.746536 3 H s
554
24 1.290963 2 C pz 23 -0.453594 2 C py
555
21 0.340735 2 C pz 9 -0.273348 1 O pz
558
Vector 12 Occ=0.000000E+00 E= 3.720103E-01
559
MO Center= 1.1E-01, 2.1E+00, -5.9E-01, r^2= 3.0E+00
560
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
561
----- ------------ --------------- ----- ------------ ---------------
562
3 1.814203 1 O s 22 1.556164 2 C px
563
18 -1.381553 2 C s 23 0.742936 2 C py
564
7 0.622329 1 O px 8 0.298502 1 O py
566
Vector 13 Occ=0.000000E+00 E= 6.842226E-01
567
MO Center= 6.8E-01, 2.5E+00, -5.6E-01, r^2= 1.7E+00
568
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
569
----- ------------ --------------- ----- ------------ ---------------
570
18 1.044562 2 C s 31 -0.764914 3 H s
571
36 -0.747690 4 H s 30 -0.296073 2 C dzz
572
22 0.291521 2 C px 23 0.285062 2 C py
573
29 0.284502 2 C dyz 17 -0.213202 2 C s
574
32 0.196039 3 H s 16 -0.195464 2 C s
576
Vector 14 Occ=0.000000E+00 E= 6.961680E-01
577
MO Center= 3.1E-01, 2.1E+00, -6.3E-01, r^2= 1.9E+00
578
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
579
----- ------------ --------------- ----- ------------ ---------------
580
23 0.889133 2 C py 20 -0.863422 2 C py
581
22 -0.463374 2 C px 19 0.403656 2 C px
582
21 -0.362070 2 C pz 24 0.358389 2 C pz
584
Vector 15 Occ=0.000000E+00 E= 7.557244E-01
585
MO Center= 5.7E-02, 2.1E+00, -5.9E-01, r^2= 2.3E+00
586
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
587
----- ------------ --------------- ----- ------------ ---------------
588
24 1.921718 2 C pz 36 0.705799 4 H s
589
31 -0.692494 3 H s 23 -0.626145 2 C py
590
32 -0.614569 3 H s 37 0.612591 4 H s
591
22 0.360769 2 C px 9 -0.324995 1 O pz
592
6 -0.296663 1 O pz 21 -0.275711 2 C pz
594
Vector 16 Occ=0.000000E+00 E= 8.352520E-01
595
MO Center= 5.5E-01, 2.3E+00, -5.8E-01, r^2= 2.5E+00
596
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
597
----- ------------ --------------- ----- ------------ ---------------
598
24 1.511823 2 C pz 32 -1.503624 3 H s
599
37 1.452814 4 H s 21 -0.764647 2 C pz
600
27 0.524734 2 C dxz 23 -0.487638 2 C py
601
36 -0.362298 4 H s 31 0.349792 3 H s
602
22 0.320765 2 C px 29 0.264220 2 C dyz
604
Vector 17 Occ=0.000000E+00 E= 8.940791E-01
605
MO Center= -2.1E-02, 2.0E+00, -5.8E-01, r^2= 1.5E+00
606
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
607
----- ------------ --------------- ----- ------------ ---------------
608
22 0.952025 2 C px 19 -0.903088 2 C px
609
18 0.897627 2 C s 37 -0.530124 4 H s
610
23 0.479054 2 C py 32 -0.462543 3 H s
611
20 -0.446415 2 C py 7 -0.419643 1 O px
612
26 -0.308263 2 C dxy 4 -0.268010 1 O px
614
Vector 18 Occ=0.000000E+00 E= 9.596791E-01
615
MO Center= 5.8E-01, 2.3E+00, -6.3E-01, r^2= 2.7E+00
616
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
617
----- ------------ --------------- ----- ------------ ---------------
618
18 4.075781 2 C s 17 -1.676231 2 C s
619
37 -1.316444 4 H s 32 -1.257958 3 H s
620
16 -0.786666 2 C s 22 0.484020 2 C px
621
3 -0.455391 1 O s 28 -0.287528 2 C dyy
622
30 -0.241769 2 C dzz 23 0.239791 2 C py
627
x = -0.59027632 y = 3.58778880 z = -1.07631750
629
moments of inertia (a.u.)
631
15.180703653517 -18.146616705660 0.247267801474
632
-18.146616705660 44.072330419463 2.481277954184
633
0.247267801474 2.481277954184 48.009842481761
635
Mulliken analysis of the total density
636
--------------------------------------
638
Atom Charge Shell Charges
639
----------- ------ -------------------------------------------------------
640
1 O 8 8.47 2.00 0.83 0.92 2.79 1.90 0.02
641
2 C 6 5.69 2.00 0.70 0.44 1.82 0.59 0.12
642
3 H 1 0.93 0.75 0.15 0.03
643
4 H 1 0.92 0.75 0.14 0.03
645
Multipole analysis of the density wrt the origin
646
------------------------------------------------
648
L x y z total open nuclear
649
- - - - ----- ---- -------
650
0 0 0 0 0.000000 0.000000 16.000000
652
1 1 0 0 1.399337 0.000000 -7.437011
653
1 0 1 0 0.654137 0.000000 58.378236
654
1 0 0 1 -0.066077 0.000000 -17.288931
656
2 2 0 0 -10.011474 0.000000 26.607935
657
2 1 1 0 4.678730 0.000000 -16.382711
658
2 1 0 1 -1.482725 0.000000 8.314330
659
2 0 2 0 -3.667497 0.000000 218.978784
660
2 0 1 1 -1.037790 0.000000 -65.289940
661
2 0 0 2 -8.073985 0.000000 24.241371
663
Nuclear repulsion energy = 31.048933878950695
664
Bq nuclear interaction energy = 9.93310323805726425E-2
666
Parallel integral file used 27 records with 0 large values
668
NWChem Extensible Many-Electron Theory Module
669
---------------------------------------------
671
======================================================
672
This portion of the program was automatically
673
generated by a Tensor Contraction Engine (TCE).
674
The development of this portion of the program
675
and TCE was supported by US Department of Energy,
676
Office of Science, Office of Basic Energy Science.
677
TCE is a product of Battelle and PNNL.
678
Please cite: S.Hirata, J.Phys.Chem.A 107, 9887 (2003).
679
======================================================
683
Number of processors : 27
684
Wavefunction type : Restricted Hartree-Fock
685
No. of electrons : 16
691
Alpha frozen cores : 0
692
Beta frozen cores : 0
693
Alpha frozen virtuals : 0
694
Beta frozen virtuals : 0
695
Spin multiplicity : singlet
696
Number of AO functions : 40
697
Number of AO shells : 18
698
Use of symmetry is : off
699
Symmetry adaption is : off
700
Schwarz screening : 0.00E+00
702
Correlation Information
703
-----------------------
704
Calculation type : Coupled-cluster singles & doubles
705
Perturbative correction : none
707
Residual threshold : 0.10E-05
708
T(0) DIIS level shift : 0.00E+00
709
L(0) DIIS level shift : 0.00E+00
710
T(1) DIIS level shift : 0.00E+00
711
L(1) DIIS level shift : 0.00E+00
712
T(R) DIIS level shift : 0.00E+00
713
T(I) DIIS level shift : 0.00E+00
714
CC-T/L Amplitude update : 5-th order DIIS
715
I/O scheme : Global Array Library
719
Available GA space size is 2654059007 doubles
720
Available MA space size is 49129373 doubles
722
Maximum block size supplied by input
723
Maximum block size 12 doubles
727
Block Spin Irrep Size Offset Alpha
728
-------------------------------------------------
729
1 alpha a 8 doubles 0 1
730
2 beta a 8 doubles 8 1
731
3 alpha a 10 doubles 16 3
732
4 alpha a 11 doubles 26 4
733
5 alpha a 11 doubles 37 5
734
6 beta a 10 doubles 48 3
735
7 beta a 11 doubles 58 4
736
8 beta a 11 doubles 69 5
738
Global array virtual files algorithm will be used
740
Parallel file system coherency ......... OK
742
#quartets = 1.471E+04 #integrals = 3.755E+05 #direct = 0.0% #cached =100.0%
745
Integral file = /scratch/fmd.aoints.00
746
Record size in doubles = 65536 No. of integs per rec = 43688
747
Max. records in memory = 2 Max. records in file = 225827
748
No. of bits per label = 8 No. of bits per value = 64
751
File balance: exchanges= 0 moved= 0 time= 0.0
754
Fock matrix recomputed
756
1-e file name = /scratch/fmd.f1
757
1-e file handle = -993
758
Cpu & wall time / sec 0.1 0.2
760
2-e (intermediate) file size = 5769600
761
2-e (intermediate) file name = /scratch/fmd.v2i
762
Cpu & wall time / sec 0.1 0.1
764
2-e file size = 3566009
765
2-e file name = /scratch/fmd.v2
766
2-e file handle = -991
767
Cpu & wall time / sec 0.1 0.1
770
t1 file name = /scratch/fmd.t1
771
t1 file handle = -992
772
Cpu & wall time / sec 0.0
776
t2 file size = 109248
777
t2 file name = /scratch/fmd.t2
778
t2 file handle = -989
779
Cpu & wall time / sec 0.0
782
-----------------------------------------------------------------
783
Iter Residuum Correlation Cpu Wall V2*C2
784
-----------------------------------------------------------------
785
1 0.1517414130151 -0.3227736078354 0.2 0.2 0.0
786
2 0.0553137057574 -0.3256345712060 0.2 0.2 0.0
787
3 0.0173770613946 -0.3361067947006 0.2 0.2 0.0
788
4 0.0105545850631 -0.3366400262472 0.2 0.2 0.0
789
5 0.0044770781916 -0.3378758215390 0.2 0.2 0.0
790
MICROCYCLE DIIS UPDATE: 5 5
791
6 0.0016798074961 -0.3383022425433 0.2 0.2 0.0
792
7 0.0007071252830 -0.3384120798243 0.2 0.2 0.0
793
8 0.0003972724406 -0.3384158075794 0.2 0.2 0.0
794
9 0.0002215748158 -0.3384201946061 0.2 0.2 0.0
795
10 0.0001327578665 -0.3384253342364 0.2 0.2 0.0
796
MICROCYCLE DIIS UPDATE: 10 5
797
11 0.0000239703608 -0.3384319643639 0.2 0.2 0.0
798
12 0.0000134120569 -0.3384325188945 0.2 0.2 0.0
799
13 0.0000091663653 -0.3384335353256 0.2 0.2 0.0
800
14 0.0000069505481 -0.3384335880331 0.2 0.2 0.0
801
15 0.0000053438111 -0.3384337101852 0.2 0.2 0.0
802
MICROCYCLE DIIS UPDATE: 15 5
803
16 0.0000011705023 -0.3384337017037 0.2 0.2 0.0
804
17 0.0000006000936 -0.3384337925571 0.2 0.2 0.0
805
-----------------------------------------------------------------
807
CCSD correlation energy / hartree = -0.338433792557065
808
CCSD total energy / hartree = -114.253161274489869
810
Singles contributions
812
Doubles contributions
813
9a (alpha) 9a (beta ) --- 7a (alpha) 7a (beta ) -0.1173597060
815
CCSD Lambda iterations
816
--------------------------------------
817
Iter Residuum Cpu Wall
818
--------------------------------------
819
1 1.6754263356830 0.5 0.6
820
2 0.0293429662569 0.4 0.6
821
3 0.0031855679100 0.5 0.6
822
4 0.0003681633474 0.5 0.6
823
5 0.0001070601862 0.5 0.6
824
MICROCYCLE DIIS UPDATE: 5 5
825
6 0.0000239910006 0.5 0.6
826
7 0.0000046372152 0.5 0.6
827
8 0.0000014902198 0.5 0.6
828
9 0.0000004835513 0.5 0.6
829
--------------------------------------
833
--------------------------------------
834
Iter Residuum Cpu Wall
835
--------------------------------------
836
1 0.0234912119457 0.0 0.0
837
2 0.0076606574072 0.0 0.0
838
3 0.0030626395012 0.0 0.0
839
4 0.0027704172427 0.0 0.0
840
5 0.0017264902394 0.0 0.0
841
MICROCYCLE DIIS UPDATE: 5 5
842
6 0.0003201514845 0.0 0.0
843
7 0.0001727589170 0.0 0.0
844
8 0.0000813607260 0.0 0.0
845
9 0.0000692379714 0.0 0.0
846
10 0.0000366934289 0.0 0.0
847
MICROCYCLE DIIS UPDATE: 10 5
848
11 0.0000046562001 0.0 0.0
849
12 0.0000023176684 0.0 0.0
850
13 0.0000011623132 0.0 0.0
851
14 0.0000009791583 0.0 0.0
852
--------------------------------------
855
NWChem Gradients Module
856
-----------------------
860
wavefunction = TCE RHF CCSD
864
ccsd ENERGY GRADIENTS
866
atom coordinates gradient
868
1 O -1.623377 3.088088 -1.040385 0.013197 0.001864 0.002540
869
2 C 0.446463 4.088800 -1.112710 -0.000681 -0.000233 0.000319
870
3 H 1.757443 4.021604 0.518380 -0.000200 0.000151 -0.000239
871
4 H 1.113789 5.119126 -2.807972 -0.000572 0.000548 0.000383
873
----------------------------------------
874
| Time | 1-e(secs) | 2-e(secs) |
875
----------------------------------------
876
| CPU | 0.01 | 0.13 |
877
----------------------------------------
878
| WALL | 0.15 | 0.14 |
879
----------------------------------------
881
Parallel integral file used 27 records with 0 large values
883
Bq nuclear interaction energy = 9.93310323805726425E-2
884
------------------------------------------------------------------------
886
------------------------------------------------------------------------
887
quantum energy -114.253161274 (-.299972E+06 kjoule/mol)
888
quantum energy adjusted -114.253161274 (-.299972E+06 kjoule/mol)
889
quantum energy internal -114.352492307 (-.300232E+06 kjoule/mol)
890
Bq-nuclear energy 0.099331032 (0.260794E+03 kjoule/mol)
891
Bq-electron energy 0.000000000 (0.000000E+00 kjoule/mol)
892
classical energy -7.460689735 (-.195880E+05 kjoule/mol)
893
total qmmm energy -121.713851010 (-.319560E+06 kjoule/mol)
894
------------------------------------------------------------------------
897
At iterate 0 f= -1.21714E+02 |proj g|= 2.09355E-04
898
Total number of active Bq charges 0
899
frozen_density,esp T T
900
disabling frozen_density,esp due to active qm atoms
906
ao basis = "ao basis"
913
input vectors = /home/d3p975/codes/nwchem-svn/nwchem/QA/tests/tce_qmmm_ccsd_opt/perm/fmd.movecs
914
output vectors = /home/d3p975/codes/nwchem-svn/nwchem/QA/tests/tce_qmmm_ccsd_opt/perm/fmd.movecs
919
Summary of "ao basis" -> "ao basis" (cartesian)
920
------------------------------------------------------------------------------
921
Tag Description Shells Functions and Types
922
---------------- ------------------------------ ------ ---------------------
923
O cc-pVDZ 6 15 3s2p1d
924
C cc-pVDZ 6 15 3s2p1d
929
Forming initial guess at 41.8s
932
Loading old vectors from job with title :
936
Nuclear repulsion energy = 27.175479635957291
937
Bq nuclear interaction energy = 0.19732682227619427
939
Starting SCF solution at 41.8s
943
----------------------------------------------
944
Quadratically convergent ROHF
946
Convergence threshold : 1.000E-10
947
Maximum no. of iterations : 200
948
Final Fock-matrix accuracy: 0.000E+00
949
----------------------------------------------
952
#quartets = 1.471E+04 #integrals = 3.762E+05 #direct = 0.0% #cached =100.0%
955
Integral file = /scratch/fmd.aoints.00
956
Record size in doubles = 65536 No. of integs per rec = 43688
957
Max. records in memory = 2 Max. records in file = 225827
958
No. of bits per label = 8 No. of bits per value = 64
961
File balance: exchanges= 0 moved= 0 time= 0.0
963
Nuclear repulsion energy = 27.175479635957291
964
Bq nuclear interaction energy = 0.19732682227619427
966
iter energy gnorm gmax time
967
----- ------------------- --------- --------- --------
968
1 -113.7452963526 8.51E-01 2.20E-01 36.7
969
Nuclear repulsion energy = 27.175479635957291
970
Bq nuclear interaction energy = 0.19732682227619427
971
2 -113.8041848878 2.81E-01 7.36E-02 36.8
972
Nuclear repulsion energy = 27.175479635957291
973
Bq nuclear interaction energy = 0.19732682227619427
974
3 -113.8118282708 1.39E-02 7.16E-03 37.0
975
Nuclear repulsion energy = 27.175479635957291
976
Bq nuclear interaction energy = 0.19732682227619427
977
4 -113.8119174359 2.85E-04 8.89E-05 37.2
978
Nuclear repulsion energy = 27.175479635957291
979
Bq nuclear interaction energy = 0.19732682227619427
980
5 -113.8119174432 4.48E-08 1.85E-08 37.5
981
Nuclear repulsion energy = 27.175479635957291
982
Bq nuclear interaction energy = 0.19732682227619427
983
6 -113.8119174432 1.00E-11 3.50E-12 37.8
984
Nuclear repulsion energy = 27.175479635957291
985
Bq nuclear interaction energy = 0.19732682227619427
991
Total SCF energy = -113.811917443154
992
One-electron energy = -209.929325968569
993
Two-electron energy = 68.744602067181
994
Nuclear repulsion energy = 27.372806458233
996
Time for solution = 1.2s
1022
ROHF Final Molecular Orbital Analysis
1023
-------------------------------------
1025
Vector 2 Occ=2.000000E+00 E=-1.138994E+01
1026
MO Center= 3.2E-01, 2.2E+00, -6.1E-01, r^2= 2.7E-02
1027
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
1028
----- ------------ --------------- ----- ------------ ---------------
1031
Vector 3 Occ=2.000000E+00 E=-1.260266E+00
1032
MO Center= -7.8E-01, 1.7E+00, -4.0E-01, r^2= 6.3E-01
1033
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
1034
----- ------------ --------------- ----- ------------ ---------------
1035
3 0.482335 1 O s 2 0.427333 1 O s
1038
Vector 4 Occ=2.000000E+00 E=-8.844409E-01
1039
MO Center= 2.4E-01, 2.1E+00, -4.9E-01, r^2= 1.4E+00
1040
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
1041
----- ------------ --------------- ----- ------------ ---------------
1042
17 0.391760 2 C s 18 0.273211 2 C s
1043
31 0.266162 3 H s 3 -0.251801 1 O s
1044
2 -0.187937 1 O s 36 0.182139 4 H s
1046
Vector 5 Occ=2.000000E+00 E=-6.873135E-01
1047
MO Center= 2.4E-01, 2.2E+00, -7.0E-01, r^2= 1.3E+00
1048
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
1049
----- ------------ --------------- ----- ------------ ---------------
1050
21 0.406502 2 C pz 36 -0.302415 4 H s
1051
31 0.289384 3 H s 6 0.178851 1 O pz
1054
Vector 6 Occ=2.000000E+00 E=-5.468555E-01
1055
MO Center= -5.4E-01, 1.8E+00, -4.9E-01, r^2= 1.4E+00
1056
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
1057
----- ------------ --------------- ----- ------------ ---------------
1058
4 0.428252 1 O px 19 -0.346619 2 C px
1059
7 0.329725 1 O px 3 -0.196444 1 O s
1060
5 0.171215 1 O py 20 -0.156639 2 C py
1062
Vector 7 Occ=2.000000E+00 E=-4.512971E-01
1063
MO Center= -8.4E-01, 1.7E+00, -4.1E-01, r^2= 1.0E+00
1064
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
1065
----- ------------ --------------- ----- ------------ ---------------
1066
6 0.579980 1 O pz 9 0.478713 1 O pz
1069
Vector 8 Occ=2.000000E+00 E=-4.378231E-01
1070
MO Center= -6.9E-01, 1.8E+00, -4.2E-01, r^2= 1.1E+00
1071
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
1072
----- ------------ --------------- ----- ------------ ---------------
1073
5 0.463752 1 O py 8 0.378065 1 O py
1074
20 0.237247 2 C py 23 0.197303 2 C py
1077
Vector 9 Occ=0.000000E+00 E= 7.517167E-02
1078
MO Center= 3.9E-02, 2.1E+00, -5.5E-01, r^2= 1.7E+00
1079
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
1080
----- ------------ --------------- ----- ------------ ---------------
1081
23 0.536130 2 C py 20 0.423059 2 C py
1082
8 -0.354613 1 O py 5 -0.300737 1 O py
1083
24 0.181870 2 C pz 22 -0.178257 2 C px
1085
Vector 10 Occ=0.000000E+00 E= 1.900232E-01
1086
MO Center= 4.8E-01, 2.4E+00, -9.8E-01, r^2= 3.8E+00
1087
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
1088
----- ------------ --------------- ----- ------------ ---------------
1089
18 1.715952 2 C s 37 -1.320970 4 H s
1090
32 -1.089083 3 H s 22 0.387570 2 C px
1091
24 -0.214858 2 C pz 23 0.176268 2 C py
1093
Vector 11 Occ=0.000000E+00 E= 2.514954E-01
1094
MO Center= 9.6E-01, 2.3E+00, -3.2E-01, r^2= 4.6E+00
1095
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
1096
----- ------------ --------------- ----- ------------ ---------------
1097
32 2.203097 3 H s 37 -1.605791 4 H s
1098
24 -1.404518 2 C pz 18 -0.515334 2 C s
1099
22 -0.436402 2 C px 23 0.337358 2 C py
1102
Vector 12 Occ=0.000000E+00 E= 3.036781E-01
1103
MO Center= 2.6E-01, 2.2E+00, -7.1E-01, r^2= 2.7E+00
1104
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
1105
----- ------------ --------------- ----- ------------ ---------------
1106
22 1.118817 2 C px 3 1.008777 1 O s
1107
18 -0.982598 2 C s 7 0.633131 1 O px
1108
37 0.541128 4 H s 23 0.408565 2 C py
1109
8 0.277422 1 O py 4 0.257921 1 O px
1112
Vector 13 Occ=0.000000E+00 E= 5.795558E-01
1113
MO Center= 4.1E-01, 2.3E+00, -8.1E-01, r^2= 2.3E+00
1114
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
1115
----- ------------ --------------- ----- ------------ ---------------
1116
18 0.844942 2 C s 36 -0.740049 4 H s
1117
37 0.639850 4 H s 31 -0.620507 3 H s
1118
30 -0.315672 2 C dzz 3 -0.286914 1 O s
1119
7 -0.276703 1 O px 32 0.223767 3 H s
1120
27 -0.220701 2 C dxz 29 0.208774 2 C dyz
1122
Vector 14 Occ=0.000000E+00 E= 6.846891E-01
1123
MO Center= 1.4E-01, 2.1E+00, -5.9E-01, r^2= 1.9E+00
1124
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
1125
----- ------------ --------------- ----- ------------ ---------------
1126
22 1.176855 2 C px 19 -0.847634 2 C px
1127
3 0.793170 1 O s 18 -0.513873 2 C s
1128
23 0.512284 2 C py 20 -0.396757 2 C py
1129
17 0.352211 2 C s 4 -0.293060 1 O px
1130
21 0.214509 2 C pz 24 -0.208663 2 C pz
1132
Vector 15 Occ=0.000000E+00 E= 6.999849E-01
1133
MO Center= 3.6E-01, 2.2E+00, -6.2E-01, r^2= 1.9E+00
1134
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
1135
----- ------------ --------------- ----- ------------ ---------------
1136
23 0.969078 2 C py 20 -0.922928 2 C py
1137
22 -0.372376 2 C px 19 0.341264 2 C px
1138
21 -0.322130 2 C pz 24 0.320045 2 C pz
1140
Vector 16 Occ=0.000000E+00 E= 8.523205E-01
1141
MO Center= 3.9E-01, 2.4E+00, -1.1E+00, r^2= 2.4E+00
1142
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
1143
----- ------------ --------------- ----- ------------ ---------------
1144
24 1.946289 2 C pz 37 1.862643 4 H s
1145
32 -1.322306 3 H s 18 -1.030888 2 C s
1146
21 -0.825185 2 C pz 22 0.640507 2 C px
1147
17 0.475746 2 C s 23 -0.432883 2 C py
1148
36 -0.300586 4 H s 31 0.264260 3 H s
1150
Vector 17 Occ=0.000000E+00 E= 8.828861E-01
1151
MO Center= 2.1E-02, 2.1E+00, -4.7E-01, r^2= 2.1E+00
1152
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
1153
----- ------------ --------------- ----- ------------ ---------------
1154
24 2.005567 2 C pz 32 -1.189349 3 H s
1155
18 0.984786 2 C s 22 0.728890 2 C px
1156
36 0.708202 4 H s 31 -0.684272 3 H s
1157
37 0.505265 4 H s 23 -0.440412 2 C py
1158
6 -0.354055 1 O pz 17 -0.332412 2 C s
1160
Vector 18 Occ=0.000000E+00 E= 9.306552E-01
1161
MO Center= 6.6E-01, 2.2E+00, -3.1E-01, r^2= 2.6E+00
1162
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
1163
----- ------------ --------------- ----- ------------ ---------------
1164
18 3.910843 2 C s 32 -1.648450 3 H s
1165
17 -1.573620 2 C s 37 -0.829453 4 H s
1166
16 -0.760203 2 C s 22 0.320908 2 C px
1167
27 0.316242 2 C dxz 28 -0.298873 2 C dyy
1168
31 0.296346 3 H s 25 -0.269422 2 C dxx
1173
x = -0.72282298 y = 3.57065786 z = -0.91070054
1175
moments of inertia (a.u.)
1177
18.902671038322 -21.555832090016 7.873647374948
1178
-21.555832090016 61.230063208983 5.979153305182
1179
7.873647374948 5.979153305182 62.035478391846
1181
Mulliken analysis of the total density
1182
--------------------------------------
1184
Atom Charge Shell Charges
1185
----------- ------ -------------------------------------------------------
1186
1 O 8 8.65 2.00 0.85 1.04 2.65 2.11 0.00
1187
2 C 6 5.67 2.00 0.73 0.51 1.66 0.68 0.08
1188
3 H 1 0.87 0.74 0.09 0.04
1189
4 H 1 0.81 0.68 0.10 0.03
1191
Multipole analysis of the density wrt the origin
1192
------------------------------------------------
1194
L x y z total open nuclear
1195
- - - - ----- ---- -------
1196
0 0 0 0 0.000000 0.000000 16.000000
1198
1 1 0 0 1.877571 0.000000 -9.773763
1199
1 0 1 0 0.795679 0.000000 57.898192
1200
1 0 0 1 -0.383143 0.000000 -15.030432
1202
2 2 0 0 -11.240142 0.000000 35.484547
1203
2 1 1 0 6.086335 0.000000 -23.543842
1204
2 1 0 1 -1.054980 0.000000 5.600047
1205
2 0 2 0 -3.068374 0.000000 215.180778
1206
2 0 1 1 -2.408522 0.000000 -58.504623
1207
2 0 0 2 -6.807348 0.000000 22.291905
1209
Nuclear repulsion energy = 27.175479635957291
1210
Bq nuclear interaction energy = 0.19732682227619427
1212
Parallel integral file used 27 records with 0 large values
1214
NWChem Extensible Many-Electron Theory Module
1215
---------------------------------------------
1217
======================================================
1218
This portion of the program was automatically
1219
generated by a Tensor Contraction Engine (TCE).
1220
The development of this portion of the program
1221
and TCE was supported by US Department of Energy,
1222
Office of Science, Office of Basic Energy Science.
1223
TCE is a product of Battelle and PNNL.
1224
Please cite: S.Hirata, J.Phys.Chem.A 107, 9887 (2003).
1225
======================================================
1229
Number of processors : 27
1230
Wavefunction type : Restricted Hartree-Fock
1231
No. of electrons : 16
1234
No. of orbitals : 80
1237
Alpha frozen cores : 0
1238
Beta frozen cores : 0
1239
Alpha frozen virtuals : 0
1240
Beta frozen virtuals : 0
1241
Spin multiplicity : singlet
1242
Number of AO functions : 40
1243
Number of AO shells : 18
1244
Use of symmetry is : off
1245
Symmetry adaption is : off
1246
Schwarz screening : 0.00E+00
1248
Correlation Information
1249
-----------------------
1250
Calculation type : Coupled-cluster singles & doubles
1251
Perturbative correction : none
1252
Max iterations : 200
1253
Residual threshold : 0.10E-05
1254
T(0) DIIS level shift : 0.00E+00
1255
L(0) DIIS level shift : 0.00E+00
1256
T(1) DIIS level shift : 0.00E+00
1257
L(1) DIIS level shift : 0.00E+00
1258
T(R) DIIS level shift : 0.00E+00
1259
T(I) DIIS level shift : 0.00E+00
1260
CC-T/L Amplitude update : 5-th order DIIS
1261
I/O scheme : Global Array Library
1265
Available GA space size is 2654059007 doubles
1266
Available MA space size is 49129373 doubles
1268
Maximum block size supplied by input
1269
Maximum block size 12 doubles
1273
Block Spin Irrep Size Offset Alpha
1274
-------------------------------------------------
1275
1 alpha a 8 doubles 0 1
1276
2 beta a 8 doubles 8 1
1277
3 alpha a 10 doubles 16 3
1278
4 alpha a 11 doubles 26 4
1279
5 alpha a 11 doubles 37 5
1280
6 beta a 10 doubles 48 3
1281
7 beta a 11 doubles 58 4
1282
8 beta a 11 doubles 69 5
1284
Global array virtual files algorithm will be used
1286
Parallel file system coherency ......... OK
1288
#quartets = 1.471E+04 #integrals = 3.762E+05 #direct = 0.0% #cached =100.0%
1291
Integral file = /scratch/fmd.aoints.00
1292
Record size in doubles = 65536 No. of integs per rec = 43688
1293
Max. records in memory = 2 Max. records in file = 225827
1294
No. of bits per label = 8 No. of bits per value = 64
1297
File balance: exchanges= 0 moved= 0 time= 0.0
1300
Fock matrix recomputed
1301
1-e file size = 1600
1302
1-e file name = /scratch/fmd.f1
1303
1-e file handle = -993
1304
Cpu & wall time / sec 0.1 0.1
1306
2-e (intermediate) file size = 5769600
1307
2-e (intermediate) file name = /scratch/fmd.v2i
1308
Cpu & wall time / sec 0.1 0.1
1310
2-e file size = 3566009
1311
2-e file name = /scratch/fmd.v2
1312
2-e file handle = -991
1313
Cpu & wall time / sec 0.1 0.1
1316
t1 file name = /scratch/fmd.t1
1317
t1 file handle = -992
1318
Cpu & wall time / sec 0.0
1322
t2 file size = 109248
1323
t2 file name = /scratch/fmd.t2
1324
t2 file handle = -989
1325
Cpu & wall time / sec 0.0
1328
-----------------------------------------------------------------
1329
Iter Residuum Correlation Cpu Wall V2*C2
1330
-----------------------------------------------------------------
1331
1 0.1767855023408 -0.3507783695864 0.2 0.2 0.0
1332
2 0.0892120549353 -0.3384777252650 0.2 0.2 0.0
1333
3 0.0296710624865 -0.3599958002812 0.2 0.2 0.0
1334
4 0.0277938095362 -0.3565328205661 0.2 0.2 0.0
1335
5 0.0105272950578 -0.3612495534043 0.2 0.2 0.0
1336
MICROCYCLE DIIS UPDATE: 5 5
1337
6 0.0044863506666 -0.3618679384858 0.2 0.2 0.0
1338
7 0.0020503970106 -0.3621476803568 0.2 0.2 0.0
1339
8 0.0012150970263 -0.3621937466548 0.2 0.2 0.0
1340
9 0.0008127374294 -0.3622177328142 0.1 0.2 0.0
1341
10 0.0005244256166 -0.3622520914802 0.2 0.2 0.0
1342
MICROCYCLE DIIS UPDATE: 10 5
1343
11 0.0001255265336 -0.3623083813320 0.2 0.2 0.0
1344
12 0.0000821601853 -0.3623090473016 0.2 0.2 0.0
1345
13 0.0000515633638 -0.3623201823776 0.2 0.2 0.0
1346
14 0.0000437310029 -0.3623194490913 0.2 0.2 0.0
1347
15 0.0000341584454 -0.3623222582038 0.2 0.2 0.0
1348
MICROCYCLE DIIS UPDATE: 15 5
1349
16 0.0000168760096 -0.3623233963327 0.2 0.2 0.0
1350
17 0.0000110587977 -0.3623248280425 0.2 0.2 0.0
1351
18 0.0000086673926 -0.3623243432311 0.2 0.2 0.0
1352
19 0.0000071926833 -0.3623242372870 0.2 0.2 0.0
1353
20 0.0000059894661 -0.3623240599933 0.2 0.2 0.0
1354
MICROCYCLE DIIS UPDATE: 20 5
1355
21 0.0000023725315 -0.3623234649092 0.2 0.2 0.0
1356
22 0.0000013490980 -0.3623236708400 0.2 0.2 0.0
1357
23 0.0000011299610 -0.3623237093535 0.2 0.2 0.0
1358
24 0.0000008569017 -0.3623237724708 0.2 0.2 0.0
1359
-----------------------------------------------------------------
1360
Iterations converged
1361
CCSD correlation energy / hartree = -0.362323772470843
1362
CCSD total energy / hartree = -114.174241215624960
1364
Singles contributions
1365
9a (alpha) --- 8a (alpha) 0.1238243656
1367
Doubles contributions
1368
9a (alpha) 9a (beta ) --- 8a (alpha) 8a (beta ) -0.1815656755
1370
CCSD Lambda iterations
1371
--------------------------------------
1372
Iter Residuum Cpu Wall
1373
--------------------------------------
1374
1 1.6318637661585 0.5 0.6
1375
2 0.0528373845915 0.5 0.6
1376
3 0.0100148901349 0.5 0.6
1377
4 0.0020239395131 0.5 0.6
1378
5 0.0008770809844 0.5 0.6
1379
MICROCYCLE DIIS UPDATE: 5 5
1380
6 0.0001218778498 0.5 0.6
1381
7 0.0000384328674 0.5 0.6
1382
8 0.0000164231859 0.5 0.6
1383
9 0.0000074274699 0.5 0.6
1384
10 0.0000033008613 0.5 0.6
1385
MICROCYCLE DIIS UPDATE: 10 5
1386
11 0.0000000325667 0.5 0.6
1387
--------------------------------------
1388
Iterations converged
1391
--------------------------------------
1392
Iter Residuum Cpu Wall
1393
--------------------------------------
1394
1 0.0287526225070 0.0 0.0
1395
2 0.0099063566494 0.0 0.0
1396
3 0.0044848203109 0.0 0.0
1397
4 0.0050899008136 0.0 0.0
1398
5 0.0036381195391 0.0 0.0
1399
MICROCYCLE DIIS UPDATE: 5 5
1400
6 0.0011554984563 0.0 0.0
1401
7 0.0006740298694 0.0 0.0
1402
8 0.0004133031719 0.0 0.0
1403
9 0.0004425396817 0.0 0.0
1404
10 0.0003197420706 0.0 0.0
1405
MICROCYCLE DIIS UPDATE: 10 5
1406
11 0.0000431232431 0.0 0.0
1407
12 0.0000275905391 0.0 0.0
1408
13 0.0000178848177 0.0 0.0
1409
14 0.0000217422720 0.0 0.0
1410
15 0.0000186595306 0.0 0.0
1411
MICROCYCLE DIIS UPDATE: 15 5
1412
16 0.0000023182399 0.0 0.0
1413
17 0.0000011727187 0.0 0.0
1414
18 0.0000007146088 0.0 0.0
1415
--------------------------------------
1416
Iterations converged
1418
NWChem Gradients Module
1419
-----------------------
1423
wavefunction = TCE RHF CCSD
1427
ccsd ENERGY GRADIENTS
1429
atom coordinates gradient
1431
1 O -1.943275 3.046428 -0.671561 -0.141641 -0.063088 0.032880
1432
2 C 0.600126 4.139220 -1.151604 0.219965 0.073468 0.028209
1433
3 H 1.700246 3.918229 0.489999 -0.036337 -0.008475 -0.014707
1434
4 H 0.471435 4.773218 -3.238318 -0.030932 0.001153 -0.039216
1436
----------------------------------------
1437
| Time | 1-e(secs) | 2-e(secs) |
1438
----------------------------------------
1439
| CPU | 0.04 | 0.13 |
1440
----------------------------------------
1441
| WALL | 0.14 | 0.14 |
1442
----------------------------------------
1444
Parallel integral file used 27 records with 0 large values
1446
Bq nuclear interaction energy = 0.19732682227619427
1447
------------------------------------------------------------------------
1449
------------------------------------------------------------------------
1450
quantum energy -114.174241216 (-.299764E+06 kjoule/mol)
1451
quantum energy adjusted -114.174241216 (-.299764E+06 kjoule/mol)
1452
quantum energy internal -114.371568038 (-.300283E+06 kjoule/mol)
1453
Bq-nuclear energy 0.197326822 (0.518082E+03 kjoule/mol)
1454
Bq-electron energy 0.000000000 (0.000000E+00 kjoule/mol)
1455
classical energy -7.453131024 (-.195682E+05 kjoule/mol)
1456
total qmmm energy -121.627372239 (-.319333E+06 kjoule/mol)
1457
------------------------------------------------------------------------
1459
Total number of active Bq charges 0
1460
frozen_density,esp T T
1461
disabling frozen_density,esp due to active qm atoms
1467
ao basis = "ao basis"
1474
input vectors = /home/d3p975/codes/nwchem-svn/nwchem/QA/tests/tce_qmmm_ccsd_opt/perm/fmd.movecs
1475
output vectors = /home/d3p975/codes/nwchem-svn/nwchem/QA/tests/tce_qmmm_ccsd_opt/perm/fmd.movecs
1480
Summary of "ao basis" -> "ao basis" (cartesian)
1481
------------------------------------------------------------------------------
1482
Tag Description Shells Functions and Types
1483
---------------- ------------------------------ ------ ---------------------
1484
O cc-pVDZ 6 15 3s2p1d
1485
C cc-pVDZ 6 15 3s2p1d
1490
Forming initial guess at 86.3s
1493
Loading old vectors from job with title :
1497
Nuclear repulsion energy = 31.042899430681619
1498
Bq nuclear interaction energy = 9.94622841335152941E-2
1500
Starting SCF solution at 86.3s
1504
----------------------------------------------
1505
Quadratically convergent ROHF
1507
Convergence threshold : 1.000E-10
1508
Maximum no. of iterations : 200
1509
Final Fock-matrix accuracy: 0.000E+00
1510
----------------------------------------------
1513
#quartets = 1.471E+04 #integrals = 3.764E+05 #direct = 0.0% #cached =100.0%
1516
Integral file = /scratch/fmd.aoints.00
1517
Record size in doubles = 65536 No. of integs per rec = 43688
1518
Max. records in memory = 2 Max. records in file = 225827
1519
No. of bits per label = 8 No. of bits per value = 64
1522
File balance: exchanges= 0 moved= 0 time= 0.0
1524
Nuclear repulsion energy = 31.042899430681619
1525
Bq nuclear interaction energy = 9.94622841335152941E-2
1527
iter energy gnorm gmax time
1528
----- ------------------- --------- --------- --------
1529
1 -113.8529178585 8.42E-01 1.83E-01 76.3
1530
Nuclear repulsion energy = 31.042899430681619
1531
Bq nuclear interaction energy = 9.94622841335152941E-2
1532
2 -113.9087898195 2.34E-01 6.59E-02 76.4
1533
Nuclear repulsion energy = 31.042899430681619
1534
Bq nuclear interaction energy = 9.94622841335152941E-2
1535
3 -113.9146818149 1.13E-02 3.97E-03 76.5
1536
Nuclear repulsion energy = 31.042899430681619
1537
Bq nuclear interaction energy = 9.94622841335152941E-2
1538
4 -113.9147070357 1.20E-04 4.06E-05 76.7
1539
Nuclear repulsion energy = 31.042899430681619
1540
Bq nuclear interaction energy = 9.94622841335152941E-2
1541
5 -113.9147070385 6.92E-09 2.80E-09 77.0
1542
Nuclear repulsion energy = 31.042899430681619
1543
Bq nuclear interaction energy = 9.94622841335152941E-2
1544
6 -113.9147070385 9.12E-12 3.16E-12 77.3
1545
Nuclear repulsion energy = 31.042899430681619
1546
Bq nuclear interaction energy = 9.94622841335152941E-2
1552
Total SCF energy = -113.914707038493
1553
One-electron energy = -217.205877879171
1554
Two-electron energy = 72.148809125863
1555
Nuclear repulsion energy = 31.142361714815
1557
Time for solution = 1.1s
1583
ROHF Final Molecular Orbital Analysis
1584
-------------------------------------
1586
Vector 2 Occ=2.000000E+00 E=-1.134267E+01
1587
MO Center= 2.4E-01, 2.2E+00, -5.9E-01, r^2= 2.7E-02
1588
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
1589
----- ------------ --------------- ----- ------------ ---------------
1592
Vector 3 Occ=2.000000E+00 E=-1.395493E+00
1593
MO Center= -5.8E-01, 1.8E+00, -5.6E-01, r^2= 5.0E-01
1594
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
1595
----- ------------ --------------- ----- ------------ ---------------
1596
2 0.409310 1 O s 3 0.388674 1 O s
1597
17 0.207398 2 C s 19 -0.163724 2 C px
1599
Vector 4 Occ=2.000000E+00 E=-8.541646E-01
1600
MO Center= 1.9E-01, 2.1E+00, -5.8E-01, r^2= 1.4E+00
1601
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
1602
----- ------------ --------------- ----- ------------ ---------------
1603
17 0.355331 2 C s 3 -0.260583 1 O s
1604
18 0.234710 2 C s 31 0.228441 3 H s
1605
36 0.225535 4 H s 2 -0.191982 1 O s
1608
Vector 5 Occ=2.000000E+00 E=-6.765483E-01
1609
MO Center= -1.7E-02, 2.0E+00, -5.8E-01, r^2= 1.3E+00
1610
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
1611
----- ------------ --------------- ----- ------------ ---------------
1612
21 0.368677 2 C pz 6 0.333859 1 O pz
1613
36 -0.236155 4 H s 31 0.232891 3 H s
1616
Vector 6 Occ=2.000000E+00 E=-6.502042E-01
1617
MO Center= -5.0E-01, 1.8E+00, -5.6E-01, r^2= 1.3E+00
1618
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
1619
----- ------------ --------------- ----- ------------ ---------------
1620
4 0.436824 1 O px 19 -0.350735 2 C px
1621
7 0.290015 1 O px 3 -0.255217 1 O s
1622
5 0.204180 1 O py 20 -0.171163 2 C py
1624
Vector 7 Occ=2.000000E+00 E=-5.264181E-01
1625
MO Center= -5.5E-01, 1.8E+00, -5.6E-01, r^2= 9.2E-01
1626
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
1627
----- ------------ --------------- ----- ------------ ---------------
1628
5 0.430654 1 O py 8 0.312501 1 O py
1629
20 0.262126 2 C py 4 -0.194086 1 O px
1630
6 0.183367 1 O pz 23 0.150265 2 C py
1632
Vector 8 Occ=2.000000E+00 E=-4.361576E-01
1633
MO Center= -2.6E-01, 1.9E+00, -5.7E-01, r^2= 1.6E+00
1634
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
1635
----- ------------ --------------- ----- ------------ ---------------
1636
6 0.486054 1 O pz 9 0.408093 1 O pz
1637
31 -0.255515 3 H s 36 0.254673 4 H s
1638
21 -0.216401 2 C pz 5 -0.165994 1 O py
1640
Vector 9 Occ=0.000000E+00 E= 1.468866E-01
1641
MO Center= 4.6E-02, 2.1E+00, -5.8E-01, r^2= 1.7E+00
1642
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
1643
----- ------------ --------------- ----- ------------ ---------------
1644
23 0.583009 2 C py 8 -0.416396 1 O py
1645
20 0.369730 2 C py 5 -0.299764 1 O py
1646
22 -0.277811 2 C px 24 0.251223 2 C pz
1647
7 0.197137 1 O px 9 -0.176496 1 O pz
1648
19 -0.174950 2 C px 21 0.157732 2 C pz
1650
Vector 10 Occ=0.000000E+00 E= 2.234633E-01
1651
MO Center= 9.4E-01, 2.4E+00, -4.4E-01, r^2= 4.0E+00
1652
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
1653
----- ------------ --------------- ----- ------------ ---------------
1654
18 1.914241 2 C s 32 -1.503422 3 H s
1655
37 -1.236100 4 H s 22 0.605040 2 C px
1656
23 0.257321 2 C py 19 0.165824 2 C px
1658
Vector 11 Occ=0.000000E+00 E= 2.912791E-01
1659
MO Center= 9.8E-01, 2.6E+00, -7.8E-01, r^2= 4.1E+00
1660
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
1661
----- ------------ --------------- ----- ------------ ---------------
1662
37 1.931355 4 H s 32 -1.746760 3 H s
1663
24 1.291256 2 C pz 23 -0.453495 2 C py
1664
21 0.340637 2 C pz 9 -0.273076 1 O pz
1667
Vector 12 Occ=0.000000E+00 E= 3.719860E-01
1668
MO Center= 1.1E-01, 2.1E+00, -5.9E-01, r^2= 3.0E+00
1669
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
1670
----- ------------ --------------- ----- ------------ ---------------
1671
3 1.813302 1 O s 22 1.555838 2 C px
1672
18 -1.381077 2 C s 23 0.742597 2 C py
1673
7 0.622570 1 O px 8 0.298571 1 O py
1675
Vector 13 Occ=0.000000E+00 E= 6.840188E-01
1676
MO Center= 6.8E-01, 2.5E+00, -5.6E-01, r^2= 1.7E+00
1677
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
1678
----- ------------ --------------- ----- ------------ ---------------
1679
18 1.045996 2 C s 31 -0.765003 3 H s
1680
36 -0.747800 4 H s 30 -0.296267 2 C dzz
1681
22 0.291533 2 C px 29 0.284439 2 C dyz
1682
23 0.282488 2 C py 17 -0.213459 2 C s
1683
32 0.196226 3 H s 16 -0.195616 2 C s
1685
Vector 14 Occ=0.000000E+00 E= 6.961849E-01
1686
MO Center= 3.1E-01, 2.1E+00, -6.3E-01, r^2= 1.9E+00
1687
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
1688
----- ------------ --------------- ----- ------------ ---------------
1689
23 0.890000 2 C py 20 -0.863749 2 C py
1690
22 -0.462465 2 C px 19 0.403725 2 C px
1691
21 -0.362126 2 C pz 24 0.358502 2 C pz
1693
Vector 15 Occ=0.000000E+00 E= 7.558790E-01
1694
MO Center= 5.6E-02, 2.1E+00, -5.9E-01, r^2= 2.3E+00
1695
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
1696
----- ------------ --------------- ----- ------------ ---------------
1697
24 1.922460 2 C pz 36 0.705761 4 H s
1698
31 -0.692548 3 H s 23 -0.626031 2 C py
1699
32 -0.615361 3 H s 37 0.613407 4 H s
1700
22 0.361464 2 C px 9 -0.324835 1 O pz
1701
6 -0.296743 1 O pz 21 -0.275753 2 C pz
1703
Vector 16 Occ=0.000000E+00 E= 8.353454E-01
1704
MO Center= 5.5E-01, 2.3E+00, -5.8E-01, r^2= 2.5E+00
1705
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
1706
----- ------------ --------------- ----- ------------ ---------------
1707
24 1.512433 2 C pz 32 -1.503949 3 H s
1708
37 1.453067 4 H s 21 -0.764673 2 C pz
1709
27 0.524562 2 C dxz 23 -0.487590 2 C py
1710
36 -0.362278 4 H s 31 0.349779 3 H s
1711
22 0.321213 2 C px 29 0.264179 2 C dyz
1713
Vector 17 Occ=0.000000E+00 E= 8.936605E-01
1714
MO Center= -2.3E-02, 2.0E+00, -5.8E-01, r^2= 1.5E+00
1715
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
1716
----- ------------ --------------- ----- ------------ ---------------
1717
22 0.951136 2 C px 19 -0.902783 2 C px
1718
18 0.888426 2 C s 37 -0.527316 4 H s
1719
23 0.478604 2 C py 32 -0.459733 3 H s
1720
20 -0.446205 2 C py 7 -0.418273 1 O px
1721
26 -0.308377 2 C dxy 4 -0.268742 1 O px
1723
Vector 18 Occ=0.000000E+00 E= 9.596390E-01
1724
MO Center= 5.8E-01, 2.3E+00, -6.3E-01, r^2= 2.7E+00
1725
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
1726
----- ------------ --------------- ----- ------------ ---------------
1727
18 4.077774 2 C s 17 -1.676126 2 C s
1728
37 -1.317784 4 H s 32 -1.259034 3 H s
1729
16 -0.786734 2 C s 22 0.485450 2 C px
1730
3 -0.454484 1 O s 28 -0.287514 2 C dyy
1731
30 -0.241056 2 C dzz 23 0.240546 2 C py
1736
x = -0.59047374 y = 3.58776329 z = -1.07607083
1738
moments of inertia (a.u.)
1740
15.183660807169 -18.150998505486 0.257109678252
1741
-18.150998505486 44.092872581596 2.486441270145
1742
0.257109678252 2.486441270145 48.027768223232
1744
Mulliken analysis of the total density
1745
--------------------------------------
1747
Atom Charge Shell Charges
1748
----------- ------ -------------------------------------------------------
1749
1 O 8 8.47 2.00 0.84 0.92 2.79 1.90 0.02
1750
2 C 6 5.68 2.00 0.70 0.44 1.82 0.59 0.12
1751
3 H 1 0.93 0.75 0.15 0.03
1752
4 H 1 0.92 0.75 0.13 0.03
1754
Multipole analysis of the density wrt the origin
1755
------------------------------------------------
1757
L x y z total open nuclear
1758
- - - - ----- ---- -------
1759
0 0 0 0 0.000000 0.000000 16.000000
1761
1 1 0 0 1.400190 0.000000 -7.440491
1762
1 0 1 0 0.654432 0.000000 58.377522
1763
1 0 0 1 -0.066445 0.000000 -17.285567
1765
2 2 0 0 -10.013122 0.000000 26.619109
1766
2 1 1 0 4.681438 0.000000 -16.393943
1767
2 1 0 1 -1.482594 0.000000 8.311331
1768
2 0 2 0 -3.665767 0.000000 218.972890
1769
2 0 1 1 -1.039774 0.000000 -65.279860
1770
2 0 0 2 -8.071984 0.000000 24.236559
1772
Nuclear repulsion energy = 31.042899430681619
1773
Bq nuclear interaction energy = 9.94622841335152941E-2
1775
Parallel integral file used 27 records with 0 large values
1777
NWChem Extensible Many-Electron Theory Module
1778
---------------------------------------------
1780
======================================================
1781
This portion of the program was automatically
1782
generated by a Tensor Contraction Engine (TCE).
1783
The development of this portion of the program
1784
and TCE was supported by US Department of Energy,
1785
Office of Science, Office of Basic Energy Science.
1786
TCE is a product of Battelle and PNNL.
1787
Please cite: S.Hirata, J.Phys.Chem.A 107, 9887 (2003).
1788
======================================================
1792
Number of processors : 27
1793
Wavefunction type : Restricted Hartree-Fock
1794
No. of electrons : 16
1797
No. of orbitals : 80
1800
Alpha frozen cores : 0
1801
Beta frozen cores : 0
1802
Alpha frozen virtuals : 0
1803
Beta frozen virtuals : 0
1804
Spin multiplicity : singlet
1805
Number of AO functions : 40
1806
Number of AO shells : 18
1807
Use of symmetry is : off
1808
Symmetry adaption is : off
1809
Schwarz screening : 0.00E+00
1811
Correlation Information
1812
-----------------------
1813
Calculation type : Coupled-cluster singles & doubles
1814
Perturbative correction : none
1815
Max iterations : 200
1816
Residual threshold : 0.10E-05
1817
T(0) DIIS level shift : 0.00E+00
1818
L(0) DIIS level shift : 0.00E+00
1819
T(1) DIIS level shift : 0.00E+00
1820
L(1) DIIS level shift : 0.00E+00
1821
T(R) DIIS level shift : 0.00E+00
1822
T(I) DIIS level shift : 0.00E+00
1823
CC-T/L Amplitude update : 5-th order DIIS
1824
I/O scheme : Global Array Library
1828
Available GA space size is 2654059007 doubles
1829
Available MA space size is 49129373 doubles
1831
Maximum block size supplied by input
1832
Maximum block size 12 doubles
1836
Block Spin Irrep Size Offset Alpha
1837
-------------------------------------------------
1838
1 alpha a 8 doubles 0 1
1839
2 beta a 8 doubles 8 1
1840
3 alpha a 10 doubles 16 3
1841
4 alpha a 11 doubles 26 4
1842
5 alpha a 11 doubles 37 5
1843
6 beta a 10 doubles 48 3
1844
7 beta a 11 doubles 58 4
1845
8 beta a 11 doubles 69 5
1847
Global array virtual files algorithm will be used
1849
Parallel file system coherency ......... OK
1851
#quartets = 1.471E+04 #integrals = 3.764E+05 #direct = 0.0% #cached =100.0%
1854
Integral file = /scratch/fmd.aoints.00
1855
Record size in doubles = 65536 No. of integs per rec = 43688
1856
Max. records in memory = 2 Max. records in file = 225827
1857
No. of bits per label = 8 No. of bits per value = 64
1860
File balance: exchanges= 0 moved= 0 time= 0.0
1863
Fock matrix recomputed
1864
1-e file size = 1600
1865
1-e file name = /scratch/fmd.f1
1866
1-e file handle = -993
1867
Cpu & wall time / sec 0.1 0.2
1869
2-e (intermediate) file size = 5769600
1870
2-e (intermediate) file name = /scratch/fmd.v2i
1871
Cpu & wall time / sec 0.1 0.1
1873
2-e file size = 3566009
1874
2-e file name = /scratch/fmd.v2
1875
2-e file handle = -991
1876
Cpu & wall time / sec 0.1 0.1
1879
t1 file name = /scratch/fmd.t1
1880
t1 file handle = -992
1881
Cpu & wall time / sec 0.0
1885
t2 file size = 109248
1886
t2 file name = /scratch/fmd.t2
1887
t2 file handle = -989
1888
Cpu & wall time / sec 0.0
1891
-----------------------------------------------------------------
1892
Iter Residuum Correlation Cpu Wall V2*C2
1893
-----------------------------------------------------------------
1894
1 0.1517657007535 -0.3228034921778 0.2 0.2 0.0
1895
2 0.0553384256553 -0.3256514447235 0.2 0.2 0.0
1896
3 0.0173848178176 -0.3361314814289 0.2 0.2 0.0
1897
4 0.0105651040748 -0.3366632084832 0.2 0.2 0.0
1898
5 0.0044819161836 -0.3379005664422 0.2 0.2 0.0
1899
MICROCYCLE DIIS UPDATE: 5 5
1900
6 0.0016820993875 -0.3383274018626 0.2 0.2 0.0
1901
7 0.0007082200018 -0.3384374220799 0.2 0.2 0.0
1902
8 0.0003979355925 -0.3384411747238 0.2 0.2 0.0
1903
9 0.0002219946845 -0.3384455734581 0.2 0.2 0.0
1904
10 0.0001330304376 -0.3384507291342 0.2 0.2 0.0
1905
MICROCYCLE DIIS UPDATE: 10 5
1906
11 0.0000240300992 -0.3384573815123 0.2 0.2 0.0
1907
12 0.0000134489205 -0.3384579375552 0.2 0.2 0.0
1908
13 0.0000091939077 -0.3384589570853 0.2 0.2 0.0
1909
14 0.0000069728344 -0.3384590100144 0.2 0.2 0.0
1910
15 0.0000053618084 -0.3384591326269 0.2 0.2 0.0
1911
MICROCYCLE DIIS UPDATE: 15 5
1912
16 0.0000011745460 -0.3384591243292 0.2 0.2 0.0
1913
17 0.0000006016459 -0.3384592154789 0.2 0.2 0.0
1914
-----------------------------------------------------------------
1915
Iterations converged
1916
CCSD correlation energy / hartree = -0.338459215478904
1917
CCSD total energy / hartree = -114.253166253971813
1919
Singles contributions
1921
Doubles contributions
1922
9a (alpha) 9a (beta ) --- 7a (alpha) 7a (beta ) -0.1174444599
1924
CCSD Lambda iterations
1925
--------------------------------------
1926
Iter Residuum Cpu Wall
1927
--------------------------------------
1928
1 1.6753547747564 0.5 0.6
1929
2 0.0293607664395 0.4 0.6
1930
3 0.0031888773100 0.5 0.6
1931
4 0.0003686618892 0.4 0.6
1932
5 0.0001072714373 0.5 0.6
1933
MICROCYCLE DIIS UPDATE: 5 5
1934
6 0.0000240475423 0.5 0.6
1935
7 0.0000046511417 0.5 0.6
1936
8 0.0000014955970 0.5 0.6
1937
9 0.0000004855288 0.5 0.6
1938
--------------------------------------
1939
Iterations converged
1942
--------------------------------------
1943
Iter Residuum Cpu Wall
1944
--------------------------------------
1945
1 0.0234969517919 0.0 0.0
1946
2 0.0076642850721 0.0 0.0
1947
3 0.0030648062123 0.0 0.0
1948
4 0.0027736324570 0.0 0.0
1949
5 0.0017288038923 0.0 0.0
1950
MICROCYCLE DIIS UPDATE: 5 5
1951
6 0.0003207664433 0.0 0.0
1952
7 0.0001730999268 0.0 0.0
1953
8 0.0000815377537 0.0 0.0
1954
9 0.0000694222532 0.0 0.0
1955
10 0.0000368067940 0.0 0.0
1956
MICROCYCLE DIIS UPDATE: 10 5
1957
11 0.0000046719791 0.0 0.0
1958
12 0.0000023258521 0.0 0.0
1959
13 0.0000011665127 0.0 0.0
1960
14 0.0000009832412 0.0 0.0
1961
--------------------------------------
1962
Iterations converged
1964
NWChem Gradients Module
1965
-----------------------
1969
wavefunction = TCE RHF CCSD
1973
ccsd ENERGY GRADIENTS
1975
atom coordinates gradient
1977
1 O -1.623854 3.088026 -1.039835 0.012690 0.001624 0.002560
1978
2 C 0.446691 4.088876 -1.112768 -0.000049 0.000067 0.000294
1979
3 H 1.757358 4.021450 0.518338 -0.000254 0.000124 -0.000233
1980
4 H 1.112832 5.118611 -2.808613 -0.000639 0.000517 0.000386
1982
----------------------------------------
1983
| Time | 1-e(secs) | 2-e(secs) |
1984
----------------------------------------
1985
| CPU | 0.09 | 0.13 |
1986
----------------------------------------
1987
| WALL | 0.14 | 0.14 |
1988
----------------------------------------
1990
Parallel integral file used 27 records with 0 large values
1992
Bq nuclear interaction energy = 9.94622841335152941E-2
1993
------------------------------------------------------------------------
1995
------------------------------------------------------------------------
1996
quantum energy -114.253166254 (-.299972E+06 kjoule/mol)
1997
quantum energy adjusted -114.253166254 (-.299972E+06 kjoule/mol)
1998
quantum energy internal -114.352628538 (-.300233E+06 kjoule/mol)
1999
Bq-nuclear energy 0.099462284 (0.261138E+03 kjoule/mol)
2000
Bq-electron energy 0.000000000 (0.000000E+00 kjoule/mol)
2001
classical energy -7.460685039 (-.195880E+05 kjoule/mol)
2002
total qmmm energy -121.713851293 (-.319560E+06 kjoule/mol)
2003
------------------------------------------------------------------------
2006
At iterate 1 f= -1.21714E+02 |proj g|= 5.82821E-04
2008
@ Step Energy Delta E Gmax Grms Xrms Xmax Walltime
2009
@ ---- ---------------- -------- -------- -------- -------- -------- --------
2010
@ 1 -121.71385129 -1.2E+02 0.00058 0.00024 0.00043 0.00096 126.4
2013
Total number of active Bq charges 0
2014
frozen_density,esp T T
2015
disabling frozen_density,esp due to active qm atoms
2021
ao basis = "ao basis"
2028
input vectors = /home/d3p975/codes/nwchem-svn/nwchem/QA/tests/tce_qmmm_ccsd_opt/perm/fmd.movecs
2029
output vectors = /home/d3p975/codes/nwchem-svn/nwchem/QA/tests/tce_qmmm_ccsd_opt/perm/fmd.movecs
2034
Summary of "ao basis" -> "ao basis" (cartesian)
2035
------------------------------------------------------------------------------
2036
Tag Description Shells Functions and Types
2037
---------------- ------------------------------ ------ ---------------------
2038
O cc-pVDZ 6 15 3s2p1d
2039
C cc-pVDZ 6 15 3s2p1d
2044
Forming initial guess at 126.5s
2047
Loading old vectors from job with title :
2051
Nuclear repulsion energy = 31.044363007577608
2052
Bq nuclear interaction energy = 9.9513304272358008E-2
2054
Starting SCF solution at 126.6s
2058
----------------------------------------------
2059
Quadratically convergent ROHF
2061
Convergence threshold : 1.000E-10
2062
Maximum no. of iterations : 200
2063
Final Fock-matrix accuracy: 0.000E+00
2064
----------------------------------------------
2067
#quartets = 1.471E+04 #integrals = 3.756E+05 #direct = 0.0% #cached =100.0%
2070
Integral file = /scratch/fmd.aoints.00
2071
Record size in doubles = 65536 No. of integs per rec = 43688
2072
Max. records in memory = 2 Max. records in file = 225827
2073
No. of bits per label = 8 No. of bits per value = 64
2076
File balance: exchanges= 0 moved= 0 time= 0.0
2078
Nuclear repulsion energy = 31.044363007577608
2079
Bq nuclear interaction energy = 9.9513304272358008E-2
2081
iter energy gnorm gmax time
2082
----- ------------------- --------- --------- --------
2083
1 -113.9147130191 7.03E-04 2.03E-04 112.2
2084
Nuclear repulsion energy = 31.044363007577608
2085
Bq nuclear interaction energy = 9.9513304272358008E-2
2086
2 -113.9147130620 2.74E-07 1.36E-07 112.5
2087
Nuclear repulsion energy = 31.044363007577608
2088
Bq nuclear interaction energy = 9.9513304272358008E-2
2089
3 -113.9147130620 8.13E-12 2.36E-12 112.8
2090
Nuclear repulsion energy = 31.044363007577608
2091
Bq nuclear interaction energy = 9.9513304272358008E-2
2097
Total SCF energy = -113.914713062008
2098
One-electron energy = -217.208801743926
2099
Two-electron energy = 72.150212370069
2100
Nuclear repulsion energy = 31.143876311850
2102
Time for solution = 0.7s
2128
ROHF Final Molecular Orbital Analysis
2129
-------------------------------------
2131
Vector 2 Occ=2.000000E+00 E=-1.134266E+01
2132
MO Center= 2.4E-01, 2.2E+00, -5.9E-01, r^2= 2.7E-02
2133
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
2134
----- ------------ --------------- ----- ------------ ---------------
2137
Vector 3 Occ=2.000000E+00 E=-1.395550E+00
2138
MO Center= -5.8E-01, 1.8E+00, -5.6E-01, r^2= 5.0E-01
2139
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
2140
----- ------------ --------------- ----- ------------ ---------------
2141
2 0.409300 1 O s 3 0.388634 1 O s
2142
17 0.207414 2 C s 19 -0.163752 2 C px
2144
Vector 4 Occ=2.000000E+00 E=-8.541262E-01
2145
MO Center= 1.9E-01, 2.1E+00, -5.8E-01, r^2= 1.4E+00
2146
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
2147
----- ------------ --------------- ----- ------------ ---------------
2148
17 0.355326 2 C s 3 -0.260637 1 O s
2149
18 0.234707 2 C s 31 0.228410 3 H s
2150
36 0.225507 4 H s 2 -0.192008 1 O s
2153
Vector 5 Occ=2.000000E+00 E=-6.765798E-01
2154
MO Center= -1.7E-02, 2.0E+00, -5.8E-01, r^2= 1.3E+00
2155
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
2156
----- ------------ --------------- ----- ------------ ---------------
2157
21 0.368667 2 C pz 6 0.333889 1 O pz
2158
36 -0.236125 4 H s 31 0.232882 3 H s
2161
Vector 6 Occ=2.000000E+00 E=-6.502096E-01
2162
MO Center= -5.0E-01, 1.8E+00, -5.6E-01, r^2= 1.3E+00
2163
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
2164
----- ------------ --------------- ----- ------------ ---------------
2165
4 0.436825 1 O px 19 -0.350752 2 C px
2166
7 0.290005 1 O px 3 -0.255180 1 O s
2167
5 0.204143 1 O py 20 -0.171157 2 C py
2169
Vector 7 Occ=2.000000E+00 E=-5.264521E-01
2170
MO Center= -5.5E-01, 1.8E+00, -5.6E-01, r^2= 9.2E-01
2171
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
2172
----- ------------ --------------- ----- ------------ ---------------
2173
5 0.430683 1 O py 8 0.312511 1 O py
2174
20 0.262166 2 C py 4 -0.194034 1 O px
2175
6 0.183339 1 O pz 23 0.150270 2 C py
2177
Vector 8 Occ=2.000000E+00 E=-4.361439E-01
2178
MO Center= -2.6E-01, 1.9E+00, -5.7E-01, r^2= 1.6E+00
2179
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
2180
----- ------------ --------------- ----- ------------ ---------------
2181
6 0.486045 1 O pz 9 0.408095 1 O pz
2182
31 -0.255533 3 H s 36 0.254699 4 H s
2183
21 -0.216401 2 C pz 5 -0.165932 1 O py
2185
Vector 9 Occ=0.000000E+00 E= 1.469155E-01
2186
MO Center= 4.6E-02, 2.1E+00, -5.8E-01, r^2= 1.7E+00
2187
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
2188
----- ------------ --------------- ----- ------------ ---------------
2189
23 0.583097 2 C py 8 -0.416468 1 O py
2190
20 0.369744 2 C py 5 -0.299792 1 O py
2191
22 -0.277757 2 C px 24 0.251211 2 C pz
2192
7 0.197102 1 O px 9 -0.176492 1 O pz
2193
19 -0.174898 2 C px 21 0.157709 2 C pz
2195
Vector 10 Occ=0.000000E+00 E= 2.234599E-01
2196
MO Center= 9.4E-01, 2.4E+00, -4.4E-01, r^2= 4.0E+00
2197
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
2198
----- ------------ --------------- ----- ------------ ---------------
2199
18 1.914041 2 C s 32 -1.503249 3 H s
2200
37 -1.236078 4 H s 22 0.604996 2 C px
2201
23 0.257302 2 C py 19 0.165850 2 C px
2203
Vector 11 Occ=0.000000E+00 E= 2.912717E-01
2204
MO Center= 9.8E-01, 2.6E+00, -7.8E-01, r^2= 4.1E+00
2205
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
2206
----- ------------ --------------- ----- ------------ ---------------
2207
37 1.931258 4 H s 32 -1.746775 3 H s
2208
24 1.291407 2 C pz 23 -0.453383 2 C py
2209
21 0.340634 2 C pz 9 -0.273107 1 O pz
2212
Vector 12 Occ=0.000000E+00 E= 3.719986E-01
2213
MO Center= 1.1E-01, 2.1E+00, -5.9E-01, r^2= 3.0E+00
2214
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
2215
----- ------------ --------------- ----- ------------ ---------------
2216
3 1.813457 1 O s 22 1.555882 2 C px
2217
18 -1.381486 2 C s 23 0.742466 2 C py
2218
7 0.622524 1 O px 8 0.298508 1 O py
2220
Vector 13 Occ=0.000000E+00 E= 6.839339E-01
2221
MO Center= 6.8E-01, 2.5E+00, -5.6E-01, r^2= 1.7E+00
2222
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
2223
----- ------------ --------------- ----- ------------ ---------------
2224
18 1.046067 2 C s 31 -0.765052 3 H s
2225
36 -0.747868 4 H s 30 -0.296349 2 C dzz
2226
22 0.291322 2 C px 29 0.284366 2 C dyz
2227
23 0.281463 2 C py 17 -0.213520 2 C s
2228
32 0.196566 3 H s 16 -0.195635 2 C s
2230
Vector 14 Occ=0.000000E+00 E= 6.961793E-01
2231
MO Center= 3.1E-01, 2.1E+00, -6.3E-01, r^2= 1.9E+00
2232
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
2233
----- ------------ --------------- ----- ------------ ---------------
2234
23 0.890320 2 C py 20 -0.863915 2 C py
2235
22 -0.462017 2 C px 19 0.403659 2 C px
2236
21 -0.362123 2 C pz 24 0.358524 2 C pz
2238
Vector 15 Occ=0.000000E+00 E= 7.559823E-01
2239
MO Center= 5.6E-02, 2.1E+00, -5.9E-01, r^2= 2.3E+00
2240
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
2241
----- ------------ --------------- ----- ------------ ---------------
2242
24 1.923301 2 C pz 36 0.705653 4 H s
2243
31 -0.692504 3 H s 23 -0.626017 2 C py
2244
32 -0.616079 3 H s 37 0.614117 4 H s
2245
22 0.362079 2 C px 9 -0.324847 1 O pz
2246
6 -0.296795 1 O pz 21 -0.276013 2 C pz
2248
Vector 16 Occ=0.000000E+00 E= 8.353455E-01
2249
MO Center= 5.5E-01, 2.3E+00, -5.8E-01, r^2= 2.5E+00
2250
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
2251
----- ------------ --------------- ----- ------------ ---------------
2252
24 1.511802 2 C pz 32 -1.503617 3 H s
2253
37 1.452824 4 H s 21 -0.764617 2 C pz
2254
27 0.524490 2 C dxz 23 -0.487248 2 C py
2255
36 -0.362563 4 H s 31 0.350057 3 H s
2256
22 0.321228 2 C px 29 0.264193 2 C dyz
2258
Vector 17 Occ=0.000000E+00 E= 8.937507E-01
2259
MO Center= -2.2E-02, 2.0E+00, -5.8E-01, r^2= 1.5E+00
2260
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
2261
----- ------------ --------------- ----- ------------ ---------------
2262
22 0.951382 2 C px 19 -0.902980 2 C px
2263
18 0.892180 2 C s 37 -0.528186 4 H s
2264
23 0.478612 2 C py 32 -0.460869 3 H s
2265
20 -0.446194 2 C py 7 -0.418652 1 O px
2266
26 -0.308364 2 C dxy 4 -0.268488 1 O px
2268
Vector 18 Occ=0.000000E+00 E= 9.596449E-01
2269
MO Center= 5.8E-01, 2.3E+00, -6.3E-01, r^2= 2.7E+00
2270
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
2271
----- ------------ --------------- ----- ------------ ---------------
2272
18 4.076789 2 C s 17 -1.676298 2 C s
2273
37 -1.317282 4 H s 32 -1.258521 3 H s
2274
16 -0.786769 2 C s 22 0.484360 2 C px
2275
3 -0.454823 1 O s 28 -0.287598 2 C dyy
2276
30 -0.241169 2 C dzz 23 0.240008 2 C py
2281
x = -0.59061937 y = 3.58774949 z = -1.07587284
2283
moments of inertia (a.u.)
2285
15.181718162682 -18.145527990660 0.264380737035
2286
-18.145527990660 44.090700376214 2.490285864543
2287
0.264380737035 2.490285864543 48.019157989940
2289
Mulliken analysis of the total density
2290
--------------------------------------
2292
Atom Charge Shell Charges
2293
----------- ------ -------------------------------------------------------
2294
1 O 8 8.47 2.00 0.84 0.92 2.79 1.90 0.02
2295
2 C 6 5.69 2.00 0.70 0.44 1.82 0.59 0.12
2296
3 H 1 0.93 0.75 0.15 0.03
2297
4 H 1 0.92 0.75 0.13 0.03
2299
Multipole analysis of the density wrt the origin
2300
------------------------------------------------
2302
L x y z total open nuclear
2303
- - - - ----- ---- -------
2304
0 0 0 0 0.000000 0.000000 16.000000
2306
1 1 0 0 1.399985 0.000000 -7.443064
2307
1 0 1 0 0.654248 0.000000 58.377060
2308
1 0 0 1 -0.066717 0.000000 -17.282875
2310
2 2 0 0 -10.013744 0.000000 26.618594
2311
2 1 1 0 4.680358 0.000000 -16.406681
2312
2 1 0 1 -1.481747 0.000000 8.308993
2313
2 0 2 0 -3.667231 0.000000 218.966819
2314
2 0 1 1 -1.040485 0.000000 -65.271776
2315
2 0 0 2 -8.070992 0.000000 24.232735
2317
Nuclear repulsion energy = 31.044363007577608
2318
Bq nuclear interaction energy = 9.9513304272358008E-2
2320
Parallel integral file used 27 records with 0 large values
2322
NWChem Extensible Many-Electron Theory Module
2323
---------------------------------------------
2325
======================================================
2326
This portion of the program was automatically
2327
generated by a Tensor Contraction Engine (TCE).
2328
The development of this portion of the program
2329
and TCE was supported by US Department of Energy,
2330
Office of Science, Office of Basic Energy Science.
2331
TCE is a product of Battelle and PNNL.
2332
Please cite: S.Hirata, J.Phys.Chem.A 107, 9887 (2003).
2333
======================================================
2337
Number of processors : 27
2338
Wavefunction type : Restricted Hartree-Fock
2339
No. of electrons : 16
2342
No. of orbitals : 80
2345
Alpha frozen cores : 0
2346
Beta frozen cores : 0
2347
Alpha frozen virtuals : 0
2348
Beta frozen virtuals : 0
2349
Spin multiplicity : singlet
2350
Number of AO functions : 40
2351
Number of AO shells : 18
2352
Use of symmetry is : off
2353
Symmetry adaption is : off
2354
Schwarz screening : 0.00E+00
2356
Correlation Information
2357
-----------------------
2358
Calculation type : Coupled-cluster singles & doubles
2359
Perturbative correction : none
2360
Max iterations : 200
2361
Residual threshold : 0.10E-05
2362
T(0) DIIS level shift : 0.00E+00
2363
L(0) DIIS level shift : 0.00E+00
2364
T(1) DIIS level shift : 0.00E+00
2365
L(1) DIIS level shift : 0.00E+00
2366
T(R) DIIS level shift : 0.00E+00
2367
T(I) DIIS level shift : 0.00E+00
2368
CC-T/L Amplitude update : 5-th order DIIS
2369
I/O scheme : Global Array Library
2373
Available GA space size is 2654059007 doubles
2374
Available MA space size is 49129373 doubles
2376
Maximum block size supplied by input
2377
Maximum block size 12 doubles
2381
Block Spin Irrep Size Offset Alpha
2382
-------------------------------------------------
2383
1 alpha a 8 doubles 0 1
2384
2 beta a 8 doubles 8 1
2385
3 alpha a 10 doubles 16 3
2386
4 alpha a 11 doubles 26 4
2387
5 alpha a 11 doubles 37 5
2388
6 beta a 10 doubles 48 3
2389
7 beta a 11 doubles 58 4
2390
8 beta a 11 doubles 69 5
2392
Global array virtual files algorithm will be used
2394
Parallel file system coherency ......... OK
2396
#quartets = 1.471E+04 #integrals = 3.756E+05 #direct = 0.0% #cached =100.0%
2399
Integral file = /scratch/fmd.aoints.00
2400
Record size in doubles = 65536 No. of integs per rec = 43688
2401
Max. records in memory = 2 Max. records in file = 225827
2402
No. of bits per label = 8 No. of bits per value = 64
2405
File balance: exchanges= 0 moved= 0 time= 0.0
2408
Fock matrix recomputed
2409
1-e file size = 1600
2410
1-e file name = /scratch/fmd.f1
2411
1-e file handle = -993
2412
Cpu & wall time / sec 0.1 0.2
2414
2-e (intermediate) file size = 5769600
2415
2-e (intermediate) file name = /scratch/fmd.v2i
2416
Cpu & wall time / sec 0.1 0.1
2418
2-e file size = 3566009
2419
2-e file name = /scratch/fmd.v2
2420
2-e file handle = -991
2421
Cpu & wall time / sec 0.1 0.1
2424
t1 file name = /scratch/fmd.t1
2425
t1 file handle = -992
2426
Cpu & wall time / sec 0.0
2430
t2 file size = 109248
2431
t2 file name = /scratch/fmd.t2
2432
t2 file handle = -989
2433
Cpu & wall time / sec 0.0
2436
-----------------------------------------------------------------
2437
Iter Residuum Correlation Cpu Wall V2*C2
2438
-----------------------------------------------------------------
2439
1 0.1517593150054 -0.3227958655297 0.2 0.2 0.0
2440
2 0.0553309611706 -0.3256474053995 0.2 0.2 0.0
2441
3 0.0173829200769 -0.3361252374562 0.2 0.2 0.0
2442
4 0.0105622122840 -0.3366575202471 0.2 0.2 0.0
2443
5 0.0044807833983 -0.3378944148097 0.2 0.2 0.0
2444
MICROCYCLE DIIS UPDATE: 5 5
2445
6 0.0016814555519 -0.3383211845693 0.2 0.2 0.0
2446
7 0.0007079426719 -0.3384311622646 0.1 0.2 0.0
2447
8 0.0003977482740 -0.3384349116404 0.2 0.2 0.0
2448
9 0.0002218814067 -0.3384393070032 0.2 0.2 0.0
2449
10 0.0001329546507 -0.3384444591447 0.2 0.2 0.0
2450
MICROCYCLE DIIS UPDATE: 10 5
2451
11 0.0000240163771 -0.3384511058545 0.2 0.2 0.0
2452
12 0.0000134412328 -0.3384516616817 0.2 0.2 0.0
2453
13 0.0000091887245 -0.3384526802935 0.2 0.2 0.0
2454
14 0.0000069687276 -0.3384527332048 0.2 0.2 0.0
2455
15 0.0000053585347 -0.3384528556692 0.2 0.2 0.0
2456
MICROCYCLE DIIS UPDATE: 15 5
2457
16 0.0000011734654 -0.3384528473105 0.2 0.2 0.0
2458
17 0.0000006011752 -0.3384529383916 0.2 0.2 0.0
2459
-----------------------------------------------------------------
2460
Iterations converged
2461
CCSD correlation energy / hartree = -0.338452938391604
2462
CCSD total energy / hartree = -114.253166000399133
2464
Singles contributions
2466
Doubles contributions
2467
9a (alpha) 9a (beta ) --- 7a (alpha) 7a (beta ) -0.1174280229
2469
CCSD Lambda iterations
2470
--------------------------------------
2471
Iter Residuum Cpu Wall
2472
--------------------------------------
2473
1 1.6753650357566 0.5 0.6
2474
2 0.0293561634566 0.5 0.6
2475
3 0.0031878192429 0.5 0.6
2476
4 0.0003685249197 0.5 0.6
2477
5 0.0001072103611 0.5 0.6
2478
MICROCYCLE DIIS UPDATE: 5 5
2479
6 0.0000240341352 0.5 0.6
2480
7 0.0000046474477 0.5 0.6
2481
8 0.0000014942564 0.5 0.6
2482
9 0.0000004850146 0.5 0.6
2483
--------------------------------------
2484
Iterations converged
2487
--------------------------------------
2488
Iter Residuum Cpu Wall
2489
--------------------------------------
2490
1 0.0234953634490 0.0 0.0
2491
2 0.0076630103233 0.0 0.0
2492
3 0.0030640769374 0.0 0.0
2493
4 0.0027726386627 0.0 0.0
2494
5 0.0017280753553 0.0 0.0
2495
MICROCYCLE DIIS UPDATE: 5 5
2496
6 0.0003206129733 0.0 0.0
2497
7 0.0001730200280 0.0 0.0
2498
8 0.0000814944181 0.0 0.0
2499
9 0.0000693790317 0.0 0.0
2500
10 0.0000367796624 0.0 0.0
2501
MICROCYCLE DIIS UPDATE: 10 5
2502
11 0.0000046680436 0.0 0.0
2503
12 0.0000023237573 0.0 0.0
2504
13 0.0000011654713 0.0 0.0
2505
14 0.0000009821948 0.0 0.0
2506
--------------------------------------
2507
Iterations converged
2509
NWChem Gradients Module
2510
-----------------------
2514
wavefunction = TCE RHF CCSD
2518
ccsd ENERGY GRADIENTS
2520
atom coordinates gradient
2522
1 O -1.623940 3.088118 -1.039404 0.012826 0.001695 0.002554
2523
2 C 0.446508 4.088761 -1.112801 -0.000159 0.000010 0.000301
2524
3 H 1.757320 4.021339 0.518300 -0.000257 0.000107 -0.000193
2525
4 H 1.112089 5.118207 -2.809139 -0.000665 0.000522 0.000346
2527
----------------------------------------
2528
| Time | 1-e(secs) | 2-e(secs) |
2529
----------------------------------------
2530
| CPU | 0.06 | 0.13 |
2531
----------------------------------------
2532
| WALL | 0.15 | 0.14 |
2533
----------------------------------------
2535
Parallel integral file used 27 records with 0 large values
2537
Bq nuclear interaction energy = 9.9513304272358008E-2
2538
------------------------------------------------------------------------
2540
------------------------------------------------------------------------
2541
quantum energy -114.253166000 (-.299972E+06 kjoule/mol)
2542
quantum energy adjusted -114.253166000 (-.299972E+06 kjoule/mol)
2543
quantum energy internal -114.352679305 (-.300233E+06 kjoule/mol)
2544
Bq-nuclear energy 0.099513304 (0.261272E+03 kjoule/mol)
2545
Bq-electron energy 0.000000000 (0.000000E+00 kjoule/mol)
2546
classical energy -7.460685628 (-.195880E+05 kjoule/mol)
2547
total qmmm energy -121.713851628 (-.319560E+06 kjoule/mol)
2548
------------------------------------------------------------------------
2551
At iterate 2 f= -1.21714E+02 |proj g|= 4.72663E-04
2553
Step Energy Delta E Gmax Grms Xrms Xmax Walltime
2554
---- ---------------- -------- -------- -------- -------- -------- --------
2555
@ 2 -121.71385163 -3.4E-07 0.00047 0.00019 0.00032 0.00074 166.1
2558
Total number of active Bq charges 0
2559
frozen_density,esp T T
2560
disabling frozen_density,esp due to active qm atoms
2566
ao basis = "ao basis"
2573
input vectors = /home/d3p975/codes/nwchem-svn/nwchem/QA/tests/tce_qmmm_ccsd_opt/perm/fmd.movecs
2574
output vectors = /home/d3p975/codes/nwchem-svn/nwchem/QA/tests/tce_qmmm_ccsd_opt/perm/fmd.movecs
2579
Summary of "ao basis" -> "ao basis" (cartesian)
2580
------------------------------------------------------------------------------
2581
Tag Description Shells Functions and Types
2582
---------------- ------------------------------ ------ ---------------------
2583
O cc-pVDZ 6 15 3s2p1d
2584
C cc-pVDZ 6 15 3s2p1d
2589
Forming initial guess at 166.2s
2592
Loading old vectors from job with title :
2596
Nuclear repulsion energy = 31.049902556713498
2597
Bq nuclear interaction energy = 0.10002557262311705
2599
Starting SCF solution at 166.3s
2603
----------------------------------------------
2604
Quadratically convergent ROHF
2606
Convergence threshold : 1.000E-10
2607
Maximum no. of iterations : 200
2608
Final Fock-matrix accuracy: 0.000E+00
2609
----------------------------------------------
2612
#quartets = 1.471E+04 #integrals = 3.755E+05 #direct = 0.0% #cached =100.0%
2615
Integral file = /scratch/fmd.aoints.00
2616
Record size in doubles = 65536 No. of integs per rec = 43688
2617
Max. records in memory = 2 Max. records in file = 225827
2618
No. of bits per label = 8 No. of bits per value = 64
2621
File balance: exchanges= 0 moved= 0 time= 0.0
2623
Nuclear repulsion energy = 31.049902556713498
2624
Bq nuclear interaction energy = 0.10002557262311705
2626
iter energy gnorm gmax time
2627
----- ------------------- --------- --------- --------
2628
1 -113.9147391053 4.66E-03 1.46E-03 148.0
2629
Nuclear repulsion energy = 31.049902556713498
2630
Bq nuclear interaction energy = 0.10002557262311705
2631
2 -113.9147410329 1.34E-05 7.00E-06 148.3
2632
Nuclear repulsion energy = 31.049902556713498
2633
Bq nuclear interaction energy = 0.10002557262311705
2634
3 -113.9147410329 1.75E-10 6.28E-11 148.6
2635
Nuclear repulsion energy = 31.049902556713498
2636
Bq nuclear interaction energy = 0.10002557262311705
2637
4 -113.9147410329 5.00E-12 2.29E-12 148.8
2638
Nuclear repulsion energy = 31.049902556713498
2639
Bq nuclear interaction energy = 0.10002557262311705
2645
Total SCF energy = -113.914741032902
2646
One-electron energy = -217.220455214506
2647
Two-electron energy = 72.155786052268
2648
Nuclear repulsion energy = 31.149928129337
2650
Time for solution = 0.8s
2676
ROHF Final Molecular Orbital Analysis
2677
-------------------------------------
2679
Vector 2 Occ=2.000000E+00 E=-1.134263E+01
2680
MO Center= 2.4E-01, 2.2E+00, -5.9E-01, r^2= 2.7E-02
2681
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
2682
----- ------------ --------------- ----- ------------ ---------------
2685
Vector 3 Occ=2.000000E+00 E=-1.395771E+00
2686
MO Center= -5.8E-01, 1.8E+00, -5.6E-01, r^2= 5.0E-01
2687
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
2688
----- ------------ --------------- ----- ------------ ---------------
2689
2 0.409259 1 O s 3 0.388483 1 O s
2690
17 0.207477 2 C s 19 -0.163865 2 C px
2692
Vector 4 Occ=2.000000E+00 E=-8.539546E-01
2693
MO Center= 1.8E-01, 2.1E+00, -5.8E-01, r^2= 1.4E+00
2694
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
2695
----- ------------ --------------- ----- ------------ ---------------
2696
17 0.355320 2 C s 3 -0.260919 1 O s
2697
18 0.234706 2 C s 31 0.228252 3 H s
2698
36 0.225373 4 H s 2 -0.192150 1 O s
2701
Vector 5 Occ=2.000000E+00 E=-6.767554E-01
2702
MO Center= -1.8E-02, 2.0E+00, -5.8E-01, r^2= 1.3E+00
2703
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
2704
----- ------------ --------------- ----- ------------ ---------------
2705
21 0.368652 2 C pz 6 0.333950 1 O pz
2706
36 -0.236001 4 H s 31 0.232909 3 H s
2709
Vector 6 Occ=2.000000E+00 E=-6.501984E-01
2710
MO Center= -5.0E-01, 1.8E+00, -5.6E-01, r^2= 1.3E+00
2711
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
2712
----- ------------ --------------- ----- ------------ ---------------
2713
4 0.436836 1 O px 19 -0.350851 2 C px
2714
7 0.289984 1 O px 3 -0.254963 1 O s
2715
5 0.203898 1 O py 20 -0.171103 2 C py
2717
Vector 7 Occ=2.000000E+00 E=-5.265820E-01
2718
MO Center= -5.5E-01, 1.8E+00, -5.6E-01, r^2= 9.2E-01
2719
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
2720
----- ------------ --------------- ----- ------------ ---------------
2721
5 0.430884 1 O py 8 0.312627 1 O py
2722
20 0.262396 2 C py 4 -0.193678 1 O px
2723
6 0.183158 1 O pz 23 0.150348 2 C py
2725
Vector 8 Occ=2.000000E+00 E=-4.361102E-01
2726
MO Center= -2.6E-01, 1.9E+00, -5.7E-01, r^2= 1.6E+00
2727
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
2728
----- ------------ --------------- ----- ------------ ---------------
2729
6 0.486083 1 O pz 9 0.408164 1 O pz
2730
31 -0.255560 3 H s 36 0.254783 4 H s
2731
21 -0.216374 2 C pz 5 -0.165531 1 O py
2733
Vector 9 Occ=0.000000E+00 E= 1.470182E-01
2734
MO Center= 4.5E-02, 2.1E+00, -5.8E-01, r^2= 1.7E+00
2735
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
2736
----- ------------ --------------- ----- ------------ ---------------
2737
23 0.583595 2 C py 8 -0.416859 1 O py
2738
20 0.369899 2 C py 5 -0.299980 1 O py
2739
22 -0.277294 2 C px 24 0.251063 2 C pz
2740
7 0.196798 1 O px 9 -0.176406 1 O pz
2741
19 -0.174546 2 C px 21 0.157557 2 C pz
2743
Vector 10 Occ=0.000000E+00 E= 2.234306E-01
2744
MO Center= 9.4E-01, 2.4E+00, -4.4E-01, r^2= 4.0E+00
2745
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
2746
----- ------------ --------------- ----- ------------ ---------------
2747
18 1.912986 2 C s 32 -1.502233 3 H s
2748
37 -1.236071 4 H s 22 0.604743 2 C px
2749
23 0.257119 2 C py 19 0.165988 2 C px
2751
Vector 11 Occ=0.000000E+00 E= 2.912030E-01
2752
MO Center= 9.8E-01, 2.6E+00, -7.9E-01, r^2= 4.1E+00
2753
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
2754
----- ------------ --------------- ----- ------------ ---------------
2755
37 1.930760 4 H s 32 -1.747017 3 H s
2756
24 1.292345 2 C pz 23 -0.452511 2 C py
2757
21 0.340596 2 C pz 9 -0.273171 1 O pz
2760
Vector 12 Occ=0.000000E+00 E= 3.720474E-01
2761
MO Center= 1.1E-01, 2.1E+00, -5.9E-01, r^2= 3.0E+00
2762
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
2763
----- ------------ --------------- ----- ------------ ---------------
2764
3 1.813937 1 O s 22 1.556031 2 C px
2765
18 -1.383513 2 C s 23 0.741518 2 C py
2766
7 0.622373 1 O px 8 0.298166 1 O py
2768
Vector 13 Occ=0.000000E+00 E= 6.834047E-01
2769
MO Center= 6.8E-01, 2.5E+00, -5.6E-01, r^2= 1.7E+00
2770
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
2771
----- ------------ --------------- ----- ------------ ---------------
2772
18 1.046905 2 C s 31 -0.765303 3 H s
2773
36 -0.748240 4 H s 30 -0.296857 2 C dzz
2774
22 0.290146 2 C px 29 0.283854 2 C dyz
2775
23 0.275257 2 C py 17 -0.213927 2 C s
2776
32 0.198475 3 H s 16 -0.195777 2 C s
2778
Vector 14 Occ=0.000000E+00 E= 6.961479E-01
2779
MO Center= 3.1E-01, 2.1E+00, -6.2E-01, r^2= 1.9E+00
2780
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
2781
----- ------------ --------------- ----- ------------ ---------------
2782
23 0.892338 2 C py 20 -0.864971 2 C py
2783
22 -0.459267 2 C px 19 0.403173 2 C px
2784
21 -0.362044 2 C pz 24 0.358598 2 C pz
2786
Vector 15 Occ=0.000000E+00 E= 7.565748E-01
2787
MO Center= 5.5E-02, 2.1E+00, -5.9E-01, r^2= 2.3E+00
2788
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
2789
----- ------------ --------------- ----- ------------ ---------------
2790
24 1.928069 2 C pz 36 0.705046 4 H s
2791
31 -0.692290 3 H s 23 -0.625495 2 C py
2792
32 -0.620201 3 H s 37 0.618201 4 H s
2793
22 0.366156 2 C px 9 -0.324854 1 O pz
2794
6 -0.297109 1 O pz 21 -0.277425 2 C pz
2796
Vector 16 Occ=0.000000E+00 E= 8.353723E-01
2797
MO Center= 5.5E-01, 2.3E+00, -5.8E-01, r^2= 2.5E+00
2798
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
2799
----- ------------ --------------- ----- ------------ ---------------
2800
24 1.508648 2 C pz 32 -1.501913 3 H s
2801
37 1.451671 4 H s 21 -0.764324 2 C pz
2802
27 0.524027 2 C dxz 23 -0.485180 2 C py
2803
36 -0.364093 4 H s 31 0.351534 3 H s
2804
22 0.321705 2 C px 29 0.264280 2 C dyz
2806
Vector 17 Occ=0.000000E+00 E= 8.940633E-01
2807
MO Center= -2.0E-02, 2.0E+00, -5.8E-01, r^2= 1.5E+00
2808
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
2809
----- ------------ --------------- ----- ------------ ---------------
2810
22 0.952363 2 C px 18 0.908719 2 C s
2811
19 -0.903939 2 C px 37 -0.531646 4 H s
2812
23 0.478384 2 C py 32 -0.465983 3 H s
2813
20 -0.445979 2 C py 7 -0.420178 1 O px
2814
26 -0.308313 2 C dxy 4 -0.267401 1 O px
2816
Vector 18 Occ=0.000000E+00 E= 9.596553E-01
2817
MO Center= 5.8E-01, 2.3E+00, -6.3E-01, r^2= 2.7E+00
2818
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
2819
----- ------------ --------------- ----- ------------ ---------------
2820
18 4.072251 2 C s 17 -1.677156 2 C s
2821
37 -1.315115 4 H s 32 -1.256178 3 H s
2822
16 -0.786975 2 C s 22 0.479132 2 C px
2823
3 -0.456269 1 O s 28 -0.288059 2 C dyy
2824
30 -0.241498 2 C dzz 23 0.237374 2 C py
2829
x = -0.59187674 y = 3.58754769 z = -1.07448310
2831
moments of inertia (a.u.)
2833
15.170391426922 -18.115681785360 0.317202523059
2834
-18.115681785360 44.089973703639 2.517210353380
2835
0.317202523059 2.517210353380 47.979049773860
2837
Mulliken analysis of the total density
2838
--------------------------------------
2840
Atom Charge Shell Charges
2841
----------- ------ -------------------------------------------------------
2842
1 O 8 8.47 2.00 0.83 0.92 2.79 1.90 0.02
2843
2 C 6 5.69 2.00 0.70 0.44 1.82 0.59 0.12
2844
3 H 1 0.93 0.75 0.15 0.03
2845
4 H 1 0.92 0.75 0.14 0.03
2847
Multipole analysis of the density wrt the origin
2848
------------------------------------------------
2850
L x y z total open nuclear
2851
- - - - ----- ---- -------
2852
0 0 0 0 0.000000 0.000000 16.000000
2854
1 1 0 0 1.399280 0.000000 -7.464529
2855
1 0 1 0 0.653311 0.000000 58.372278
2856
1 0 0 1 -0.068675 0.000000 -17.264057
2858
2 2 0 0 -10.018762 0.000000 26.627667
2859
2 1 1 0 4.675422 0.000000 -16.502841
2860
2 1 0 1 -1.476557 0.000000 8.295071
2861
2 0 2 0 -3.675068 0.000000 218.915120
2862
2 0 1 1 -1.046035 0.000000 -65.213319
2863
2 0 0 2 -8.064163 0.000000 24.204273
2865
Nuclear repulsion energy = 31.049902556713498
2866
Bq nuclear interaction energy = 0.10002557262311705
2868
Parallel integral file used 27 records with 0 large values
2870
NWChem Extensible Many-Electron Theory Module
2871
---------------------------------------------
2873
======================================================
2874
This portion of the program was automatically
2875
generated by a Tensor Contraction Engine (TCE).
2876
The development of this portion of the program
2877
and TCE was supported by US Department of Energy,
2878
Office of Science, Office of Basic Energy Science.
2879
TCE is a product of Battelle and PNNL.
2880
Please cite: S.Hirata, J.Phys.Chem.A 107, 9887 (2003).
2881
======================================================
2885
Number of processors : 27
2886
Wavefunction type : Restricted Hartree-Fock
2887
No. of electrons : 16
2890
No. of orbitals : 80
2893
Alpha frozen cores : 0
2894
Beta frozen cores : 0
2895
Alpha frozen virtuals : 0
2896
Beta frozen virtuals : 0
2897
Spin multiplicity : singlet
2898
Number of AO functions : 40
2899
Number of AO shells : 18
2900
Use of symmetry is : off
2901
Symmetry adaption is : off
2902
Schwarz screening : 0.00E+00
2904
Correlation Information
2905
-----------------------
2906
Calculation type : Coupled-cluster singles & doubles
2907
Perturbative correction : none
2908
Max iterations : 200
2909
Residual threshold : 0.10E-05
2910
T(0) DIIS level shift : 0.00E+00
2911
L(0) DIIS level shift : 0.00E+00
2912
T(1) DIIS level shift : 0.00E+00
2913
L(1) DIIS level shift : 0.00E+00
2914
T(R) DIIS level shift : 0.00E+00
2915
T(I) DIIS level shift : 0.00E+00
2916
CC-T/L Amplitude update : 5-th order DIIS
2917
I/O scheme : Global Array Library
2921
Available GA space size is 2654059007 doubles
2922
Available MA space size is 49129373 doubles
2924
Maximum block size supplied by input
2925
Maximum block size 12 doubles
2929
Block Spin Irrep Size Offset Alpha
2930
-------------------------------------------------
2931
1 alpha a 8 doubles 0 1
2932
2 beta a 8 doubles 8 1
2933
3 alpha a 10 doubles 16 3
2934
4 alpha a 11 doubles 26 4
2935
5 alpha a 11 doubles 37 5
2936
6 beta a 10 doubles 48 3
2937
7 beta a 11 doubles 58 4
2938
8 beta a 11 doubles 69 5
2940
Global array virtual files algorithm will be used
2942
Parallel file system coherency ......... OK
2944
#quartets = 1.471E+04 #integrals = 3.755E+05 #direct = 0.0% #cached =100.0%
2947
Integral file = /scratch/fmd.aoints.00
2948
Record size in doubles = 65536 No. of integs per rec = 43688
2949
Max. records in memory = 2 Max. records in file = 225827
2950
No. of bits per label = 8 No. of bits per value = 64
2953
File balance: exchanges= 0 moved= 0 time= 0.0
2956
Fock matrix recomputed
2957
1-e file size = 1600
2958
1-e file name = /scratch/fmd.f1
2959
1-e file handle = -993
2960
Cpu & wall time / sec 0.1 0.2
2962
2-e (intermediate) file size = 5769600
2963
2-e (intermediate) file name = /scratch/fmd.v2i
2964
Cpu & wall time / sec 0.1 0.1
2966
2-e file size = 3566009
2967
2-e file name = /scratch/fmd.v2
2968
2-e file handle = -991
2969
Cpu & wall time / sec 0.1 0.1
2972
t1 file name = /scratch/fmd.t1
2973
t1 file handle = -992
2974
Cpu & wall time / sec 0.0
2978
t2 file size = 109248
2979
t2 file name = /scratch/fmd.t2
2980
t2 file handle = -989
2981
Cpu & wall time / sec 0.0
2984
-----------------------------------------------------------------
2985
Iter Residuum Correlation Cpu Wall V2*C2
2986
-----------------------------------------------------------------
2987
1 0.1517339923608 -0.3227658194814 0.2 0.2 0.0
2988
2 0.0553004171972 -0.3256317361456 0.2 0.2 0.0
2989
3 0.0173756709242 -0.3361006895930 0.2 0.2 0.0
2990
4 0.0105507540309 -0.3366353745909 0.2 0.2 0.0
2991
5 0.0044765642600 -0.3378703829540 0.2 0.2 0.0
2992
MICROCYCLE DIIS UPDATE: 5 5
2993
6 0.0016788891237 -0.3382969580133 0.2 0.2 0.0
2994
7 0.0007068774557 -0.3384067782467 0.2 0.2 0.0
2995
8 0.0003970006205 -0.3384105200173 0.2 0.2 0.0
2996
9 0.0002214369199 -0.3384149017637 0.2 0.2 0.0
2997
10 0.0001326541746 -0.3384200411666 0.2 0.2 0.0
2998
MICROCYCLE DIIS UPDATE: 10 5
2999
11 0.0000239664808 -0.3384266661125 0.2 0.2 0.0
3000
12 0.0000134149016 -0.3384272213901 0.2 0.2 0.0
3001
13 0.0000091721723 -0.3384282362787 0.2 0.2 0.0
3002
14 0.0000069557915 -0.3384282891834 0.2 0.2 0.0
3003
15 0.0000053483013 -0.3384284110340 0.2 0.2 0.0
3004
MICROCYCLE DIIS UPDATE: 15 5
3005
16 0.0000011692018 -0.3384284024271 0.2 0.2 0.0
3006
17 0.0000005992017 -0.3384284932552 0.2 0.2 0.0
3007
-----------------------------------------------------------------
3008
Iterations converged
3009
CCSD correlation energy / hartree = -0.338428493255232
3010
CCSD total energy / hartree = -114.253169526156910
3012
Singles contributions
3014
Doubles contributions
3015
9a (alpha) 9a (beta ) --- 7a (alpha) 7a (beta ) -0.1173706640
3017
CCSD Lambda iterations
3018
--------------------------------------
3019
Iter Residuum Cpu Wall
3020
--------------------------------------
3021
1 1.6753930916096 0.5 0.6
3022
2 0.0293380714718 0.5 0.6
3023
3 0.0031834208889 0.5 0.6
3024
4 0.0003679789905 0.5 0.6
3025
5 0.0001069643709 0.5 0.6
3026
MICROCYCLE DIIS UPDATE: 5 5
3027
6 0.0000239836041 0.5 0.6
3028
7 0.0000046330303 0.5 0.6
3029
8 0.0000014891433 0.5 0.6
3030
9 0.0000004830276 0.5 0.6
3031
--------------------------------------
3032
Iterations converged
3035
--------------------------------------
3036
Iter Residuum Cpu Wall
3037
--------------------------------------
3038
1 0.0234889979154 0.0 0.0
3039
2 0.0076575893017 0.0 0.0
3040
3 0.0030609883535 0.0 0.0
3041
4 0.0027685325183 0.0 0.0
3042
5 0.0017250314422 0.0 0.0
3043
MICROCYCLE DIIS UPDATE: 5 5
3044
6 0.0003200275324 0.0 0.0
3045
7 0.0001727193101 0.0 0.0
3046
8 0.0000813283938 0.0 0.0
3047
9 0.0000692160007 0.0 0.0
3048
10 0.0000366766343 0.0 0.0
3049
MICROCYCLE DIIS UPDATE: 10 5
3050
11 0.0000046530993 0.0 0.0
3051
12 0.0000023157444 0.0 0.0
3052
13 0.0000011615482 0.0 0.0
3053
14 0.0000009781852 0.0 0.0
3054
--------------------------------------
3055
Iterations converged
3057
NWChem Gradients Module
3058
-----------------------
3062
wavefunction = TCE RHF CCSD
3066
ccsd ENERGY GRADIENTS
3068
atom coordinates gradient
3070
1 O -1.625008 3.088534 -1.036341 0.013365 0.001989 0.002528
3071
2 C 0.445227 4.088000 -1.113062 -0.000516 -0.000181 0.000334
3072
3 H 1.757150 4.020734 0.517663 -0.000287 0.000003 0.000020
3073
4 H 1.107027 5.115275 -2.812621 -0.000829 0.000532 0.000138
3075
----------------------------------------
3076
| Time | 1-e(secs) | 2-e(secs) |
3077
----------------------------------------
3078
| CPU | 0.12 | 0.12 |
3079
----------------------------------------
3080
| WALL | 0.14 | 0.14 |
3081
----------------------------------------
3083
Parallel integral file used 27 records with 0 large values
3085
Bq nuclear interaction energy = 0.10002557262311705
3086
------------------------------------------------------------------------
3088
------------------------------------------------------------------------
3089
quantum energy -114.253169526 (-.299972E+06 kjoule/mol)
3090
quantum energy adjusted -114.253169526 (-.299972E+06 kjoule/mol)
3091
quantum energy internal -114.353195099 (-.300234E+06 kjoule/mol)
3092
Bq-nuclear energy 0.100025573 (0.262617E+03 kjoule/mol)
3093
Bq-electron energy 0.000000000 (0.000000E+00 kjoule/mol)
3094
classical energy -7.460683239 (-.195880E+05 kjoule/mol)
3095
total qmmm energy -121.713852766 (-.319560E+06 kjoule/mol)
3096
------------------------------------------------------------------------
3099
At iterate 3 f= -1.21714E+02 |proj g|= 2.67563E-04
3101
Step Energy Delta E Gmax Grms Xrms Xmax Walltime
3102
---- ---------------- -------- -------- -------- -------- -------- --------
3103
@ 3 -121.71385277 -1.1E-06 0.00027 0.00013 0.00224 0.00506 205.9
3106
Total number of active Bq charges 0
3107
frozen_density,esp T T
3108
disabling frozen_density,esp due to active qm atoms
3114
ao basis = "ao basis"
3121
input vectors = /home/d3p975/codes/nwchem-svn/nwchem/QA/tests/tce_qmmm_ccsd_opt/perm/fmd.movecs
3122
output vectors = /home/d3p975/codes/nwchem-svn/nwchem/QA/tests/tce_qmmm_ccsd_opt/perm/fmd.movecs
3127
Summary of "ao basis" -> "ao basis" (cartesian)
3128
------------------------------------------------------------------------------
3129
Tag Description Shells Functions and Types
3130
---------------- ------------------------------ ------ ---------------------
3131
O cc-pVDZ 6 15 3s2p1d
3132
C cc-pVDZ 6 15 3s2p1d
3137
Forming initial guess at 206.0s
3140
Loading old vectors from job with title :
3144
Nuclear repulsion energy = 31.051048182342917
3145
Bq nuclear interaction energy = 0.10046611087933398
3147
Starting SCF solution at 206.1s
3151
----------------------------------------------
3152
Quadratically convergent ROHF
3154
Convergence threshold : 1.000E-10
3155
Maximum no. of iterations : 200
3156
Final Fock-matrix accuracy: 0.000E+00
3157
----------------------------------------------
3160
#quartets = 1.471E+04 #integrals = 3.750E+05 #direct = 0.0% #cached =100.0%
3163
Integral file = /scratch/fmd.aoints.00
3164
Record size in doubles = 65536 No. of integs per rec = 43688
3165
Max. records in memory = 2 Max. records in file = 225827
3166
No. of bits per label = 8 No. of bits per value = 64
3169
File balance: exchanges= 0 moved= 0 time= 0.0
3171
Nuclear repulsion energy = 31.051048182342917
3172
Bq nuclear interaction energy = 0.10046611087933398
3174
iter energy gnorm gmax time
3175
----- ------------------- --------- --------- --------
3176
1 -113.9147551231 2.09E-03 7.01E-04 183.9
3177
Nuclear repulsion energy = 31.051048182342917
3178
Bq nuclear interaction energy = 0.10046611087933398
3179
2 -113.9147555169 2.59E-06 1.60E-06 184.2
3180
Nuclear repulsion energy = 31.051048182342917
3181
Bq nuclear interaction energy = 0.10046611087933398
3182
3 -113.9147555169 8.44E-12 3.26E-12 184.6
3183
Nuclear repulsion energy = 31.051048182342917
3184
Bq nuclear interaction energy = 0.10046611087933398
3190
Total SCF energy = -113.914755516942
3191
One-electron energy = -217.223166615692
3192
Two-electron energy = 72.156896805528
3193
Nuclear repulsion energy = 31.151514293222
3195
Time for solution = 0.7s
3221
ROHF Final Molecular Orbital Analysis
3222
-------------------------------------
3224
Vector 2 Occ=2.000000E+00 E=-1.134264E+01
3225
MO Center= 2.4E-01, 2.2E+00, -5.9E-01, r^2= 2.7E-02
3226
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
3227
----- ------------ --------------- ----- ------------ ---------------
3230
Vector 3 Occ=2.000000E+00 E=-1.395840E+00
3231
MO Center= -5.8E-01, 1.8E+00, -5.6E-01, r^2= 5.0E-01
3232
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
3233
----- ------------ --------------- ----- ------------ ---------------
3234
2 0.409253 1 O s 3 0.388455 1 O s
3235
17 0.207487 2 C s 19 -0.163891 2 C px
3237
Vector 4 Occ=2.000000E+00 E=-8.539568E-01
3238
MO Center= 1.8E-01, 2.1E+00, -5.8E-01, r^2= 1.4E+00
3239
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
3240
----- ------------ --------------- ----- ------------ ---------------
3241
17 0.355315 2 C s 3 -0.260947 1 O s
3242
18 0.234697 2 C s 31 0.228227 3 H s
3243
36 0.225369 4 H s 2 -0.192161 1 O s
3246
Vector 5 Occ=2.000000E+00 E=-6.767938E-01
3247
MO Center= -1.8E-02, 2.0E+00, -5.8E-01, r^2= 1.3E+00
3248
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
3249
----- ------------ --------------- ----- ------------ ---------------
3250
21 0.368652 2 C pz 6 0.334002 1 O pz
3251
36 -0.235948 4 H s 31 0.232912 3 H s
3254
Vector 6 Occ=2.000000E+00 E=-6.502380E-01
3255
MO Center= -5.0E-01, 1.8E+00, -5.6E-01, r^2= 1.3E+00
3256
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
3257
----- ------------ --------------- ----- ------------ ---------------
3258
4 0.436851 1 O px 19 -0.350872 2 C px
3259
7 0.289985 1 O px 3 -0.254937 1 O s
3260
5 0.203823 1 O py 20 -0.171056 2 C py
3262
Vector 7 Occ=2.000000E+00 E=-5.266333E-01
3263
MO Center= -5.5E-01, 1.8E+00, -5.6E-01, r^2= 9.2E-01
3264
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
3265
----- ------------ --------------- ----- ------------ ---------------
3266
5 0.430985 1 O py 8 0.312696 1 O py
3267
20 0.262483 2 C py 4 -0.193542 1 O px
3268
6 0.183074 1 O pz 23 0.150381 2 C py
3270
Vector 8 Occ=2.000000E+00 E=-4.361226E-01
3271
MO Center= -2.6E-01, 1.9E+00, -5.7E-01, r^2= 1.6E+00
3272
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
3273
----- ------------ --------------- ----- ------------ ---------------
3274
6 0.486077 1 O pz 9 0.408173 1 O pz
3275
31 -0.255576 3 H s 36 0.254818 4 H s
3276
21 -0.216402 2 C pz 5 -0.165323 1 O py
3278
Vector 9 Occ=0.000000E+00 E= 1.470202E-01
3279
MO Center= 4.4E-02, 2.1E+00, -5.8E-01, r^2= 1.7E+00
3280
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
3281
----- ------------ --------------- ----- ------------ ---------------
3282
23 0.583797 2 C py 8 -0.416994 1 O py
3283
20 0.370001 2 C py 5 -0.300057 1 O py
3284
22 -0.277042 2 C px 24 0.250966 2 C pz
3285
7 0.196636 1 O px 9 -0.176337 1 O pz
3286
19 -0.174383 2 C px 21 0.157488 2 C pz
3288
Vector 10 Occ=0.000000E+00 E= 2.234227E-01
3289
MO Center= 9.4E-01, 2.4E+00, -4.4E-01, r^2= 4.0E+00
3290
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
3291
----- ------------ --------------- ----- ------------ ---------------
3292
18 1.912860 2 C s 32 -1.501915 3 H s
3293
37 -1.236347 4 H s 22 0.604887 2 C px
3294
23 0.257094 2 C py 19 0.166026 2 C px
3296
Vector 11 Occ=0.000000E+00 E= 2.911963E-01
3297
MO Center= 9.8E-01, 2.6E+00, -7.9E-01, r^2= 4.1E+00
3298
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
3299
----- ------------ --------------- ----- ------------ ---------------
3300
37 1.930555 4 H s 32 -1.747184 3 H s
3301
24 1.292462 2 C pz 23 -0.451934 2 C py
3302
21 0.340632 2 C pz 9 -0.273207 1 O pz
3305
Vector 12 Occ=0.000000E+00 E= 3.720358E-01
3306
MO Center= 1.1E-01, 2.1E+00, -5.9E-01, r^2= 3.0E+00
3307
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
3308
----- ------------ --------------- ----- ------------ ---------------
3309
3 1.814054 1 O s 22 1.556160 2 C px
3310
18 -1.383799 2 C s 23 0.741186 2 C py
3311
7 0.622358 1 O px 8 0.298059 1 O py
3313
Vector 13 Occ=0.000000E+00 E= 6.833744E-01
3314
MO Center= 6.8E-01, 2.5E+00, -5.6E-01, r^2= 1.7E+00
3315
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
3316
----- ------------ --------------- ----- ------------ ---------------
3317
18 1.046886 2 C s 31 -0.765325 3 H s
3318
36 -0.748258 4 H s 30 -0.296921 2 C dzz
3319
22 0.290173 2 C px 29 0.283622 2 C dyz
3320
23 0.274917 2 C py 17 -0.213952 2 C s
3321
32 0.198709 3 H s 16 -0.195784 2 C s
3323
Vector 14 Occ=0.000000E+00 E= 6.961268E-01
3324
MO Center= 3.1E-01, 2.1E+00, -6.2E-01, r^2= 1.9E+00
3325
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
3326
----- ------------ --------------- ----- ------------ ---------------
3327
23 0.892641 2 C py 20 -0.865235 2 C py
3328
22 -0.458840 2 C px 19 0.402831 2 C px
3329
21 -0.361892 2 C pz 24 0.358471 2 C pz
3331
Vector 15 Occ=0.000000E+00 E= 7.565831E-01
3332
MO Center= 5.4E-02, 2.1E+00, -5.9E-01, r^2= 2.3E+00
3333
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
3334
----- ------------ --------------- ----- ------------ ---------------
3335
24 1.928519 2 C pz 36 0.704961 4 H s
3336
31 -0.692268 3 H s 23 -0.624617 2 C py
3337
32 -0.620533 3 H s 37 0.618559 4 H s
3338
22 0.367603 2 C px 9 -0.324876 1 O pz
3339
6 -0.297141 1 O pz 21 -0.277577 2 C pz
3341
Vector 16 Occ=0.000000E+00 E= 8.353536E-01
3342
MO Center= 5.5E-01, 2.3E+00, -5.8E-01, r^2= 2.5E+00
3343
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
3344
----- ------------ --------------- ----- ------------ ---------------
3345
24 1.508274 2 C pz 32 -1.501645 3 H s
3346
37 1.451637 4 H s 21 -0.764291 2 C pz
3347
27 0.523980 2 C dxz 23 -0.484495 2 C py
3348
36 -0.364269 4 H s 31 0.351668 3 H s
3349
22 0.322236 2 C px 29 0.264372 2 C dyz
3351
Vector 17 Occ=0.000000E+00 E= 8.941082E-01
3352
MO Center= -2.0E-02, 2.0E+00, -5.8E-01, r^2= 1.5E+00
3353
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
3354
----- ------------ --------------- ----- ------------ ---------------
3355
22 0.952547 2 C px 18 0.910809 2 C s
3356
19 -0.904107 2 C px 37 -0.531903 4 H s
3357
23 0.478192 2 C py 32 -0.466863 3 H s
3358
20 -0.445812 2 C py 7 -0.420489 1 O px
3359
26 -0.308270 2 C dxy 4 -0.267241 1 O px
3361
Vector 18 Occ=0.000000E+00 E= 9.596503E-01
3362
MO Center= 5.8E-01, 2.3E+00, -6.3E-01, r^2= 2.7E+00
3363
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
3364
----- ------------ --------------- ----- ------------ ---------------
3365
18 4.071745 2 C s 17 -1.677223 2 C s
3366
37 -1.314905 4 H s 32 -1.255871 3 H s
3367
16 -0.786980 2 C s 22 0.478646 2 C px
3368
3 -0.456452 1 O s 28 -0.288153 2 C dyy
3369
30 -0.241556 2 C dzz 23 0.237009 2 C py
3374
x = -0.59283622 y = 3.58727242 z = -1.07387918
3376
moments of inertia (a.u.)
3378
15.164270956590 -18.107414675949 0.343477293440
3379
-18.107414675949 44.094651668710 2.528898321000
3380
0.343477293440 2.528898321000 47.971600332342
3382
Mulliken analysis of the total density
3383
--------------------------------------
3385
Atom Charge Shell Charges
3386
----------- ------ -------------------------------------------------------
3387
1 O 8 8.47 2.00 0.83 0.92 2.79 1.90 0.02
3388
2 C 6 5.69 2.00 0.70 0.44 1.82 0.59 0.12
3389
3 H 1 0.93 0.75 0.15 0.03
3390
4 H 1 0.92 0.75 0.14 0.03
3392
Multipole analysis of the density wrt the origin
3393
------------------------------------------------
3395
L x y z total open nuclear
3396
- - - - ----- ---- -------
3397
0 0 0 0 0.000000 0.000000 16.000000
3399
1 1 0 0 1.399289 0.000000 -7.479847
3400
1 0 1 0 0.653063 0.000000 58.367436
3401
1 0 0 1 -0.069619 0.000000 -17.256061
3403
2 2 0 0 -10.021385 0.000000 26.643612
3404
2 1 1 0 4.674307 0.000000 -16.561711
3405
2 1 0 1 -1.474796 0.000000 8.293305
3406
2 0 2 0 -3.677397 0.000000 218.873598
3407
2 0 1 1 -1.048583 0.000000 -65.185076
3408
2 0 0 2 -8.061980 0.000000 24.189140
3410
Nuclear repulsion energy = 31.051048182342917
3411
Bq nuclear interaction energy = 0.10046611087933398
3413
Parallel integral file used 27 records with 0 large values
3415
NWChem Extensible Many-Electron Theory Module
3416
---------------------------------------------
3418
======================================================
3419
This portion of the program was automatically
3420
generated by a Tensor Contraction Engine (TCE).
3421
The development of this portion of the program
3422
and TCE was supported by US Department of Energy,
3423
Office of Science, Office of Basic Energy Science.
3424
TCE is a product of Battelle and PNNL.
3425
Please cite: S.Hirata, J.Phys.Chem.A 107, 9887 (2003).
3426
======================================================
3430
Number of processors : 27
3431
Wavefunction type : Restricted Hartree-Fock
3432
No. of electrons : 16
3435
No. of orbitals : 80
3438
Alpha frozen cores : 0
3439
Beta frozen cores : 0
3440
Alpha frozen virtuals : 0
3441
Beta frozen virtuals : 0
3442
Spin multiplicity : singlet
3443
Number of AO functions : 40
3444
Number of AO shells : 18
3445
Use of symmetry is : off
3446
Symmetry adaption is : off
3447
Schwarz screening : 0.00E+00
3449
Correlation Information
3450
-----------------------
3451
Calculation type : Coupled-cluster singles & doubles
3452
Perturbative correction : none
3453
Max iterations : 200
3454
Residual threshold : 0.10E-05
3455
T(0) DIIS level shift : 0.00E+00
3456
L(0) DIIS level shift : 0.00E+00
3457
T(1) DIIS level shift : 0.00E+00
3458
L(1) DIIS level shift : 0.00E+00
3459
T(R) DIIS level shift : 0.00E+00
3460
T(I) DIIS level shift : 0.00E+00
3461
CC-T/L Amplitude update : 5-th order DIIS
3462
I/O scheme : Global Array Library
3466
Available GA space size is 2654059007 doubles
3467
Available MA space size is 49129373 doubles
3469
Maximum block size supplied by input
3470
Maximum block size 12 doubles
3474
Block Spin Irrep Size Offset Alpha
3475
-------------------------------------------------
3476
1 alpha a 8 doubles 0 1
3477
2 beta a 8 doubles 8 1
3478
3 alpha a 10 doubles 16 3
3479
4 alpha a 11 doubles 26 4
3480
5 alpha a 11 doubles 37 5
3481
6 beta a 10 doubles 48 3
3482
7 beta a 11 doubles 58 4
3483
8 beta a 11 doubles 69 5
3485
Global array virtual files algorithm will be used
3487
Parallel file system coherency ......... OK
3489
#quartets = 1.471E+04 #integrals = 3.750E+05 #direct = 0.0% #cached =100.0%
3492
Integral file = /scratch/fmd.aoints.00
3493
Record size in doubles = 65536 No. of integs per rec = 43688
3494
Max. records in memory = 2 Max. records in file = 225827
3495
No. of bits per label = 8 No. of bits per value = 64
3498
File balance: exchanges= 0 moved= 0 time= 0.0
3501
Fock matrix recomputed
3502
1-e file size = 1600
3503
1-e file name = /scratch/fmd.f1
3504
1-e file handle = -993
3505
Cpu & wall time / sec 0.1 0.2
3507
2-e (intermediate) file size = 5769600
3508
2-e (intermediate) file name = /scratch/fmd.v2i
3509
Cpu & wall time / sec 0.1 0.1
3511
2-e file size = 3566009
3512
2-e file name = /scratch/fmd.v2
3513
2-e file handle = -991
3514
Cpu & wall time / sec 0.1 0.1
3517
t1 file name = /scratch/fmd.t1
3518
t1 file handle = -992
3519
Cpu & wall time / sec 0.0
3523
t2 file size = 109248
3524
t2 file name = /scratch/fmd.t2
3525
t2 file handle = -989
3526
Cpu & wall time / sec 0.0
3529
-----------------------------------------------------------------
3530
Iter Residuum Correlation Cpu Wall V2*C2
3531
-----------------------------------------------------------------
3532
1 0.1517283917922 -0.3227585436760 0.2 0.2 0.0
3533
2 0.0552948790887 -0.3256273449961 0.2 0.2 0.0
3534
3 0.0173740622355 -0.3360945325913 0.2 0.2 0.0
3535
4 0.0105486380364 -0.3366296033498 0.2 0.2 0.0
3536
5 0.0044757163190 -0.3378642627979 0.2 0.2 0.0
3537
MICROCYCLE DIIS UPDATE: 5 5
3538
6 0.0016784337953 -0.3382907776423 0.2 0.2 0.0
3539
7 0.0007066757843 -0.3384005685485 0.2 0.2 0.0
3540
8 0.0003968685907 -0.3384043085382 0.2 0.2 0.0
3541
9 0.0002213577084 -0.3384086878500 0.2 0.2 0.0
3542
10 0.0001326015953 -0.3384138247368 0.2 0.2 0.0
3543
MICROCYCLE DIIS UPDATE: 10 5
3544
11 0.0000239578056 -0.3384204457071 0.2 0.2 0.0
3545
12 0.0000134106297 -0.3384210008858 0.2 0.2 0.0
3546
13 0.0000091696228 -0.3384220151229 0.2 0.2 0.0
3547
14 0.0000069537630 -0.3384220680218 0.2 0.2 0.0
3548
15 0.0000053466561 -0.3384221897714 0.2 0.2 0.0
3549
MICROCYCLE DIIS UPDATE: 15 5
3550
16 0.0000011683411 -0.3384221811419 0.2 0.2 0.0
3551
17 0.0000005987462 -0.3384222719175 0.2 0.2 0.0
3552
-----------------------------------------------------------------
3553
Iterations converged
3554
CCSD correlation energy / hartree = -0.338422271917481
3555
CCSD total energy / hartree = -114.253177788859730
3557
Singles contributions
3559
Doubles contributions
3560
9a (alpha) 9a (beta ) --- 7a (alpha) 7a (beta ) -0.1173546765
3562
CCSD Lambda iterations
3563
--------------------------------------
3564
Iter Residuum Cpu Wall
3565
--------------------------------------
3566
1 1.6754044497587 0.5 0.6
3567
2 0.0293341330411 0.5 0.6
3568
3 0.0031826550044 0.5 0.6
3569
4 0.0003678679351 0.5 0.6
3570
5 0.0001069197884 0.5 0.6
3571
MICROCYCLE DIIS UPDATE: 5 5
3572
6 0.0000239729334 0.5 0.6
3573
7 0.0000046304268 0.4 0.6
3574
8 0.0000014881811 0.5 0.6
3575
9 0.0000004826740 0.4 0.6
3576
--------------------------------------
3577
Iterations converged
3580
--------------------------------------
3581
Iter Residuum Cpu Wall
3582
--------------------------------------
3583
1 0.0234877056708 0.0 0.0
3584
2 0.0076567409284 0.0 0.0
3585
3 0.0030604343442 0.0 0.0
3586
4 0.0027677864078 0.0 0.0
3587
5 0.0017244407210 0.0 0.0
3588
MICROCYCLE DIIS UPDATE: 5 5
3589
6 0.0003199192897 0.0 0.0
3590
7 0.0001726533408 0.0 0.0
3591
8 0.0000812928895 0.0 0.0
3592
9 0.0000691794878 0.0 0.0
3593
10 0.0000366541215 0.0 0.0
3594
MICROCYCLE DIIS UPDATE: 10 5
3595
11 0.0000046504226 0.0 0.0
3596
12 0.0000023143720 0.0 0.0
3597
13 0.0000011608778 0.0 0.0
3598
14 0.0000009774793 0.0 0.0
3599
--------------------------------------
3600
Iterations converged
3602
NWChem Gradients Module
3603
-----------------------
3607
wavefunction = TCE RHF CCSD
3611
ccsd ENERGY GRADIENTS
3613
atom coordinates gradient
3615
1 O -1.625971 3.088464 -1.034937 0.013463 0.002044 0.002523
3616
2 C 0.444265 4.087524 -1.113242 -0.000618 -0.000220 0.000345
3617
3 H 1.757264 4.020783 0.516701 -0.000275 -0.000002 0.000032
3618
4 H 1.105063 5.113793 -2.813816 -0.000845 0.000523 0.000126
3620
----------------------------------------
3621
| Time | 1-e(secs) | 2-e(secs) |
3622
----------------------------------------
3623
| CPU | 0.06 | 0.14 |
3624
----------------------------------------
3625
| WALL | 0.15 | 0.15 |
3626
----------------------------------------
3628
Parallel integral file used 27 records with 0 large values
3630
Bq nuclear interaction energy = 0.10046611087933398
3631
------------------------------------------------------------------------
3633
------------------------------------------------------------------------
3634
quantum energy -114.253177789 (-.299972E+06 kjoule/mol)
3635
quantum energy adjusted -114.253177789 (-.299972E+06 kjoule/mol)
3636
quantum energy internal -114.353643900 (-.300235E+06 kjoule/mol)
3637
Bq-nuclear energy 0.100466111 (0.263774E+03 kjoule/mol)
3638
Bq-electron energy 0.000000000 (0.000000E+00 kjoule/mol)
3639
classical energy -7.460675546 (-.195880E+05 kjoule/mol)
3640
total qmmm energy -121.713853335 (-.319560E+06 kjoule/mol)
3641
------------------------------------------------------------------------
3644
At iterate 4 f= -1.21714E+02 |proj g|= 3.19822E-04
3646
Step Energy Delta E Gmax Grms Xrms Xmax Walltime
3647
---- ---------------- -------- -------- -------- -------- -------- --------
3648
@ 4 -121.71385333 -5.7E-07 0.00032 0.00014 0.00102 0.00196 245.9
3651
Total number of active Bq charges 0
3652
frozen_density,esp T T
3653
disabling frozen_density,esp due to active qm atoms
3659
ao basis = "ao basis"
3666
input vectors = /home/d3p975/codes/nwchem-svn/nwchem/QA/tests/tce_qmmm_ccsd_opt/perm/fmd.movecs
3667
output vectors = /home/d3p975/codes/nwchem-svn/nwchem/QA/tests/tce_qmmm_ccsd_opt/perm/fmd.movecs
3672
Summary of "ao basis" -> "ao basis" (cartesian)
3673
------------------------------------------------------------------------------
3674
Tag Description Shells Functions and Types
3675
---------------- ------------------------------ ------ ---------------------
3676
O cc-pVDZ 6 15 3s2p1d
3677
C cc-pVDZ 6 15 3s2p1d
3682
Forming initial guess at 246.0s
3685
Loading old vectors from job with title :
3689
Nuclear repulsion energy = 31.052716378334456
3690
Bq nuclear interaction energy = 0.10302151712692668
3692
Starting SCF solution at 246.0s
3696
----------------------------------------------
3697
Quadratically convergent ROHF
3699
Convergence threshold : 1.000E-10
3700
Maximum no. of iterations : 200
3701
Final Fock-matrix accuracy: 0.000E+00
3702
----------------------------------------------
3705
#quartets = 1.471E+04 #integrals = 3.747E+05 #direct = 0.0% #cached =100.0%
3708
Integral file = /scratch/fmd.aoints.00
3709
Record size in doubles = 65536 No. of integs per rec = 43688
3710
Max. records in memory = 2 Max. records in file = 225827
3711
No. of bits per label = 8 No. of bits per value = 64
3714
File balance: exchanges= 0 moved= 0 time= 0.0
3716
Nuclear repulsion energy = 31.052716378334456
3717
Bq nuclear interaction energy = 0.10302151712692668
3719
iter energy gnorm gmax time
3720
----- ------------------- --------- --------- --------
3721
1 -113.9148162483 1.03E-02 3.47E-03 219.8
3722
Nuclear repulsion energy = 31.052716378334456
3723
Bq nuclear interaction energy = 0.10302151712692668
3724
2 -113.9148258387 7.82E-05 3.57E-05 220.0
3725
Nuclear repulsion energy = 31.052716378334456
3726
Bq nuclear interaction energy = 0.10302151712692668
3727
3 -113.9148258402 4.07E-09 1.44E-09 220.3
3728
Nuclear repulsion energy = 31.052716378334456
3729
Bq nuclear interaction energy = 0.10302151712692668
3730
4 -113.9148258402 4.29E-12 2.25E-12 220.5
3731
Nuclear repulsion energy = 31.052716378334456
3732
Bq nuclear interaction energy = 0.10302151712692668
3738
Total SCF energy = -113.914825840180
3739
One-electron energy = -217.229071584122
3740
Two-electron energy = 72.158507848480
3741
Nuclear repulsion energy = 31.155737895461
3743
Time for solution = 0.8s
3769
ROHF Final Molecular Orbital Analysis
3770
-------------------------------------
3772
Vector 2 Occ=2.000000E+00 E=-1.134275E+01
3773
MO Center= 2.3E-01, 2.2E+00, -5.9E-01, r^2= 2.7E-02
3774
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
3775
----- ------------ --------------- ----- ------------ ---------------
3778
Vector 3 Occ=2.000000E+00 E=-1.396047E+00
3779
MO Center= -5.8E-01, 1.8E+00, -5.6E-01, r^2= 5.0E-01
3780
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
3781
----- ------------ --------------- ----- ------------ ---------------
3782
2 0.409253 1 O s 3 0.388444 1 O s
3783
17 0.207483 2 C s 19 -0.163951 2 C px
3785
Vector 4 Occ=2.000000E+00 E=-8.541409E-01
3786
MO Center= 1.8E-01, 2.1E+00, -5.8E-01, r^2= 1.4E+00
3787
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
3788
----- ------------ --------------- ----- ------------ ---------------
3789
17 0.355295 2 C s 3 -0.260880 1 O s
3790
18 0.234646 2 C s 31 0.228288 3 H s
3791
36 0.225393 4 H s 2 -0.192111 1 O s
3794
Vector 5 Occ=2.000000E+00 E=-6.769054E-01
3795
MO Center= -2.1E-02, 2.0E+00, -5.8E-01, r^2= 1.3E+00
3796
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
3797
----- ------------ --------------- ----- ------------ ---------------
3798
21 0.368692 2 C pz 6 0.334243 1 O pz
3799
36 -0.235664 4 H s 31 0.233029 3 H s
3802
Vector 6 Occ=2.000000E+00 E=-6.504806E-01
3803
MO Center= -5.0E-01, 1.8E+00, -5.6E-01, r^2= 1.3E+00
3804
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
3805
----- ------------ --------------- ----- ------------ ---------------
3806
4 0.437032 1 O px 19 -0.350871 2 C px
3807
7 0.290085 1 O px 3 -0.254948 1 O s
3808
5 0.203370 1 O py 20 -0.170872 2 C py
3810
Vector 7 Occ=2.000000E+00 E=-5.268246E-01
3811
MO Center= -5.5E-01, 1.8E+00, -5.6E-01, r^2= 9.2E-01
3812
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
3813
----- ------------ --------------- ----- ------------ ---------------
3814
5 0.431533 1 O py 8 0.313102 1 O py
3815
20 0.262853 2 C py 4 -0.192865 1 O px
3816
6 0.182630 1 O pz 23 0.150560 2 C py
3818
Vector 8 Occ=2.000000E+00 E=-4.362566E-01
3819
MO Center= -2.6E-01, 1.9E+00, -5.7E-01, r^2= 1.6E+00
3820
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
3821
----- ------------ --------------- ----- ------------ ---------------
3822
6 0.486076 1 O pz 9 0.408222 1 O pz
3823
31 -0.255581 3 H s 36 0.254971 4 H s
3824
21 -0.216590 2 C pz 5 -0.164284 1 O py
3826
Vector 9 Occ=0.000000E+00 E= 1.469183E-01
3827
MO Center= 4.2E-02, 2.1E+00, -5.8E-01, r^2= 1.7E+00
3828
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
3829
----- ------------ --------------- ----- ------------ ---------------
3830
23 0.584668 2 C py 8 -0.417547 1 O py
3831
20 0.370553 2 C py 5 -0.300418 1 O py
3832
22 -0.275814 2 C px 24 0.250361 2 C pz
3833
7 0.195795 1 O px 9 -0.175895 1 O pz
3834
19 -0.173630 2 C px 21 0.157122 2 C pz
3836
Vector 10 Occ=0.000000E+00 E= 2.233946E-01
3837
MO Center= 9.4E-01, 2.4E+00, -4.5E-01, r^2= 4.0E+00
3838
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
3839
----- ------------ --------------- ----- ------------ ---------------
3840
18 1.913027 2 C s 32 -1.500772 3 H s
3841
37 -1.238203 4 H s 22 0.605880 2 C px
3842
23 0.257353 2 C py 19 0.166091 2 C px
3844
Vector 11 Occ=0.000000E+00 E= 2.911931E-01
3845
MO Center= 9.8E-01, 2.6E+00, -7.9E-01, r^2= 4.1E+00
3846
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
3847
----- ------------ --------------- ----- ------------ ---------------
3848
37 1.929437 4 H s 32 -1.748496 3 H s
3849
24 1.292553 2 C pz 23 -0.448738 2 C py
3850
21 0.340885 2 C pz 9 -0.273328 1 O pz
3853
Vector 12 Occ=0.000000E+00 E= 3.719125E-01
3854
MO Center= 1.1E-01, 2.1E+00, -5.9E-01, r^2= 3.0E+00
3855
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
3856
----- ------------ --------------- ----- ------------ ---------------
3857
3 1.814208 1 O s 22 1.556891 2 C px
3858
18 -1.383884 2 C s 23 0.739533 2 C py
3859
7 0.622470 1 O px 8 0.297587 1 O py
3861
Vector 13 Occ=0.000000E+00 E= 6.835834E-01
3862
MO Center= 6.7E-01, 2.5E+00, -5.6E-01, r^2= 1.7E+00
3863
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
3864
----- ------------ --------------- ----- ------------ ---------------
3865
18 1.046564 2 C s 31 -0.765051 3 H s
3866
36 -0.748273 4 H s 30 -0.296979 2 C dzz
3867
22 0.291290 2 C px 29 0.282469 2 C dyz
3868
23 0.277609 2 C py 17 -0.213861 2 C s
3869
32 0.198112 3 H s 16 -0.195759 2 C s
3871
Vector 14 Occ=0.000000E+00 E= 6.960173E-01
3872
MO Center= 3.0E-01, 2.1E+00, -6.3E-01, r^2= 1.9E+00
3873
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
3874
----- ------------ --------------- ----- ------------ ---------------
3875
23 0.893148 2 C py 20 -0.866188 2 C py
3876
22 -0.458157 2 C px 19 0.400969 2 C px
3877
21 -0.360862 2 C pz 24 0.357456 2 C pz
3879
Vector 15 Occ=0.000000E+00 E= 7.561698E-01
3880
MO Center= 5.2E-02, 2.1E+00, -5.9E-01, r^2= 2.3E+00
3881
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
3882
----- ------------ --------------- ----- ------------ ---------------
3883
24 1.927778 2 C pz 36 0.704784 4 H s
3884
31 -0.692391 3 H s 32 -0.619945 3 H s
3885
23 -0.618836 2 C py 37 0.617441 4 H s
3886
22 0.374463 2 C px 9 -0.324998 1 O pz
3887
6 -0.297105 1 O pz 21 -0.277432 2 C pz
3889
Vector 16 Occ=0.000000E+00 E= 8.352417E-01
3890
MO Center= 5.5E-01, 2.3E+00, -5.8E-01, r^2= 2.5E+00
3891
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
3892
----- ------------ --------------- ----- ------------ ---------------
3893
24 1.508613 2 C pz 32 -1.500946 3 H s
3894
37 1.452942 4 H s 21 -0.764355 2 C pz
3895
27 0.524021 2 C dxz 23 -0.481901 2 C py
3896
36 -0.364090 4 H s 31 0.351399 3 H s
3897
22 0.324708 2 C px 29 0.264964 2 C dyz
3899
Vector 17 Occ=0.000000E+00 E= 8.940414E-01
3900
MO Center= -2.4E-02, 2.0E+00, -5.8E-01, r^2= 1.5E+00
3901
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
3902
----- ------------ --------------- ----- ------------ ---------------
3903
22 0.952847 2 C px 18 0.908416 2 C s
3904
19 -0.904438 2 C px 37 -0.529139 4 H s
3905
23 0.476848 2 C py 32 -0.468547 3 H s
3906
20 -0.444649 2 C py 7 -0.420938 1 O px
3907
26 -0.308088 2 C dxy 4 -0.267274 1 O px
3909
Vector 18 Occ=0.000000E+00 E= 9.596043E-01
3910
MO Center= 5.7E-01, 2.3E+00, -6.3E-01, r^2= 2.7E+00
3911
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
3912
----- ------------ --------------- ----- ------------ ---------------
3913
18 4.072862 2 C s 17 -1.676920 2 C s
3914
37 -1.315305 4 H s 32 -1.256578 3 H s
3915
16 -0.786855 2 C s 22 0.480168 2 C px
3916
3 -0.456243 1 O s 28 -0.288407 2 C dyy
3917
30 -0.241474 2 C dzz 23 0.237159 2 C py
3922
x = -0.59820070 y = 3.58542427 z = -1.07126718
3924
moments of inertia (a.u.)
3926
15.132138628625 -18.077203964042 0.475245614896
3927
-18.077203964042 44.132901299412 2.584057773142
3928
0.475245614896 2.584057773142 47.959391473320
3930
Mulliken analysis of the total density
3931
--------------------------------------
3933
Atom Charge Shell Charges
3934
----------- ------ -------------------------------------------------------
3935
1 O 8 8.47 2.00 0.83 0.92 2.79 1.90 0.02
3936
2 C 6 5.69 2.00 0.70 0.44 1.82 0.59 0.12
3937
3 H 1 0.93 0.75 0.15 0.03
3938
4 H 1 0.92 0.75 0.14 0.03
3940
Multipole analysis of the density wrt the origin
3941
------------------------------------------------
3943
L x y z total open nuclear
3944
- - - - ----- ---- -------
3945
0 0 0 0 0.000000 0.000000 16.000000
3947
1 1 0 0 1.400204 0.000000 -7.564512
3948
1 0 1 0 0.652186 0.000000 58.336381
3949
1 0 0 1 -0.074214 0.000000 -17.222649
3951
2 2 0 0 -10.035018 0.000000 26.745387
3952
2 1 1 0 4.671767 0.000000 -16.873995
3953
2 1 0 1 -1.467777 0.000000 8.294858
3954
2 0 2 0 -3.686611 0.000000 218.619099
3955
2 0 1 1 -1.060852 0.000000 -65.057712
3956
2 0 0 2 -8.052996 0.000000 24.121737
3958
Nuclear repulsion energy = 31.052716378334456
3959
Bq nuclear interaction energy = 0.10302151712692668
3961
Parallel integral file used 27 records with 0 large values
3963
NWChem Extensible Many-Electron Theory Module
3964
---------------------------------------------
3966
======================================================
3967
This portion of the program was automatically
3968
generated by a Tensor Contraction Engine (TCE).
3969
The development of this portion of the program
3970
and TCE was supported by US Department of Energy,
3971
Office of Science, Office of Basic Energy Science.
3972
TCE is a product of Battelle and PNNL.
3973
Please cite: S.Hirata, J.Phys.Chem.A 107, 9887 (2003).
3974
======================================================
3978
Number of processors : 27
3979
Wavefunction type : Restricted Hartree-Fock
3980
No. of electrons : 16
3983
No. of orbitals : 80
3986
Alpha frozen cores : 0
3987
Beta frozen cores : 0
3988
Alpha frozen virtuals : 0
3989
Beta frozen virtuals : 0
3990
Spin multiplicity : singlet
3991
Number of AO functions : 40
3992
Number of AO shells : 18
3993
Use of symmetry is : off
3994
Symmetry adaption is : off
3995
Schwarz screening : 0.00E+00
3997
Correlation Information
3998
-----------------------
3999
Calculation type : Coupled-cluster singles & doubles
4000
Perturbative correction : none
4001
Max iterations : 200
4002
Residual threshold : 0.10E-05
4003
T(0) DIIS level shift : 0.00E+00
4004
L(0) DIIS level shift : 0.00E+00
4005
T(1) DIIS level shift : 0.00E+00
4006
L(1) DIIS level shift : 0.00E+00
4007
T(R) DIIS level shift : 0.00E+00
4008
T(I) DIIS level shift : 0.00E+00
4009
CC-T/L Amplitude update : 5-th order DIIS
4010
I/O scheme : Global Array Library
4014
Available GA space size is 2654059007 doubles
4015
Available MA space size is 49129373 doubles
4017
Maximum block size supplied by input
4018
Maximum block size 12 doubles
4022
Block Spin Irrep Size Offset Alpha
4023
-------------------------------------------------
4024
1 alpha a 8 doubles 0 1
4025
2 beta a 8 doubles 8 1
4026
3 alpha a 10 doubles 16 3
4027
4 alpha a 11 doubles 26 4
4028
5 alpha a 11 doubles 37 5
4029
6 beta a 10 doubles 48 3
4030
7 beta a 11 doubles 58 4
4031
8 beta a 11 doubles 69 5
4033
Global array virtual files algorithm will be used
4035
Parallel file system coherency ......... OK
4037
#quartets = 1.471E+04 #integrals = 3.747E+05 #direct = 0.0% #cached =100.0%
4040
Integral file = /scratch/fmd.aoints.00
4041
Record size in doubles = 65536 No. of integs per rec = 43688
4042
Max. records in memory = 2 Max. records in file = 225827
4043
No. of bits per label = 8 No. of bits per value = 64
4046
File balance: exchanges= 0 moved= 0 time= 0.0
4049
Fock matrix recomputed
4050
1-e file size = 1600
4051
1-e file name = /scratch/fmd.f1
4052
1-e file handle = -993
4053
Cpu & wall time / sec 0.1 0.2
4055
2-e (intermediate) file size = 5769600
4056
2-e (intermediate) file name = /scratch/fmd.v2i
4057
Cpu & wall time / sec 0.1 0.1
4059
2-e file size = 3566009
4060
2-e file name = /scratch/fmd.v2
4061
2-e file handle = -991
4062
Cpu & wall time / sec 0.1 0.1
4065
t1 file name = /scratch/fmd.t1
4066
t1 file handle = -992
4067
Cpu & wall time / sec 0.0
4071
t2 file size = 109248
4072
t2 file name = /scratch/fmd.t2
4073
t2 file handle = -989
4074
Cpu & wall time / sec 0.0
4077
-----------------------------------------------------------------
4078
Iter Residuum Correlation Cpu Wall V2*C2
4079
-----------------------------------------------------------------
4080
1 0.1517179189773 -0.3227416605821 0.2 0.2 0.0
4081
2 0.0552891294331 -0.3256145441665 0.2 0.2 0.0
4082
3 0.0173711346526 -0.3360791633492 0.2 0.2 0.0
4083
4 0.0105466216545 -0.3366144341458 0.2 0.2 0.0
4084
5 0.0044747972562 -0.3378487001630 0.2 0.2 0.0
4085
MICROCYCLE DIIS UPDATE: 5 5
4086
6 0.0016780988778 -0.3382750734448 0.2 0.2 0.0
4087
7 0.0007064857577 -0.3383848501444 0.2 0.2 0.0
4088
8 0.0003967723527 -0.3383885911967 0.2 0.2 0.0
4089
9 0.0002213019055 -0.3383929687381 0.2 0.2 0.0
4090
10 0.0001325666777 -0.3383981035134 0.2 0.2 0.0
4091
MICROCYCLE DIIS UPDATE: 10 5
4092
11 0.0000239504783 -0.3384047215438 0.2 0.2 0.0
4093
12 0.0000134071878 -0.3384052770948 0.2 0.2 0.0
4094
13 0.0000091677573 -0.3384062908460 0.2 0.2 0.0
4095
14 0.0000069521072 -0.3384063438042 0.2 0.2 0.0
4096
15 0.0000053451234 -0.3384064655086 0.2 0.2 0.0
4097
MICROCYCLE DIIS UPDATE: 15 5
4098
16 0.0000011671289 -0.3384064570030 0.2 0.2 0.0
4099
17 0.0000005977499 -0.3384065476997 0.2 0.2 0.0
4100
-----------------------------------------------------------------
4101
Iterations converged
4102
CCSD correlation energy / hartree = -0.338406547699712
4103
CCSD total energy / hartree = -114.253232387880217
4105
Singles contributions
4107
Doubles contributions
4108
9a (alpha) 9a (beta ) --- 7a (alpha) 7a (beta ) -0.1173172384
4110
CCSD Lambda iterations
4111
--------------------------------------
4112
Iter Residuum Cpu Wall
4113
--------------------------------------
4114
1 1.6754436274448 0.5 0.6
4115
2 0.0293271877314 0.5 0.6
4116
3 0.0031819833195 0.5 0.6
4117
4 0.0003676965665 0.5 0.6
4118
5 0.0001068778452 0.5 0.6
4119
MICROCYCLE DIIS UPDATE: 5 5
4120
6 0.0000239580342 0.5 0.6
4121
7 0.0000046285890 0.5 0.6
4122
8 0.0000014873886 0.5 0.6
4123
9 0.0000004824749 0.4 0.6
4124
--------------------------------------
4125
Iterations converged
4128
--------------------------------------
4129
Iter Residuum Cpu Wall
4130
--------------------------------------
4131
1 0.0234857455219 0.0 0.0
4132
2 0.0076564790541 0.0 0.0
4133
3 0.0030597973806 0.0 0.0
4134
4 0.0027669893923 0.0 0.0
4135
5 0.0017235614678 0.0 0.0
4136
MICROCYCLE DIIS UPDATE: 5 5
4137
6 0.0003198415673 0.0 0.0
4138
7 0.0001725482523 0.0 0.0
4139
8 0.0000812377508 0.0 0.0
4140
9 0.0000691171321 0.0 0.0
4141
10 0.0000366176290 0.0 0.0
4142
MICROCYCLE DIIS UPDATE: 10 5
4143
11 0.0000046487202 0.0 0.0
4144
12 0.0000023137201 0.0 0.0
4145
13 0.0000011604696 0.0 0.0
4146
14 0.0000009769979 0.0 0.0
4147
--------------------------------------
4148
Iterations converged
4150
NWChem Gradients Module
4151
-----------------------
4155
wavefunction = TCE RHF CCSD
4159
ccsd ENERGY GRADIENTS
4161
atom coordinates gradient
4163
1 O -1.631606 3.087526 -1.028380 0.013531 0.002124 0.002503
4164
2 C 0.439064 4.084715 -1.114468 -0.000787 -0.000318 0.000489
4165
3 H 1.757965 4.021690 0.510486 -0.000226 0.000068 -0.000129
4166
4 H 1.095987 5.106191 -2.819288 -0.000825 0.000487 0.000190
4168
----------------------------------------
4169
| Time | 1-e(secs) | 2-e(secs) |
4170
----------------------------------------
4171
| CPU | 0.08 | 0.13 |
4172
----------------------------------------
4173
| WALL | 0.14 | 0.14 |
4174
----------------------------------------
4176
Parallel integral file used 27 records with 0 large values
4178
Bq nuclear interaction energy = 0.10302151712692668
4179
------------------------------------------------------------------------
4181
------------------------------------------------------------------------
4182
quantum energy -114.253232388 (-.299972E+06 kjoule/mol)
4183
quantum energy adjusted -114.253232388 (-.299972E+06 kjoule/mol)
4184
quantum energy internal -114.356253905 (-.300242E+06 kjoule/mol)
4185
Bq-nuclear energy 0.103021517 (0.270483E+03 kjoule/mol)
4186
Bq-electron energy 0.000000000 (0.000000E+00 kjoule/mol)
4187
classical energy -7.460622999 (-.195879E+05 kjoule/mol)
4188
total qmmm energy -121.713855387 (-.319560E+06 kjoule/mol)
4189
------------------------------------------------------------------------
4192
At iterate 5 f= -1.21714E+02 |proj g|= 2.53857E-04
4194
Step Energy Delta E Gmax Grms Xrms Xmax Walltime
4195
---- ---------------- -------- -------- -------- -------- -------- --------
4196
@ 5 -121.71385539 -2.1E-06 0.00025 0.00013 0.00518 0.00908 286.0
4199
Total number of active Bq charges 0
4200
frozen_density,esp T T
4201
disabling frozen_density,esp due to active qm atoms
4207
ao basis = "ao basis"
4214
input vectors = /home/d3p975/codes/nwchem-svn/nwchem/QA/tests/tce_qmmm_ccsd_opt/perm/fmd.movecs
4215
output vectors = /home/d3p975/codes/nwchem-svn/nwchem/QA/tests/tce_qmmm_ccsd_opt/perm/fmd.movecs
4220
Summary of "ao basis" -> "ao basis" (cartesian)
4221
------------------------------------------------------------------------------
4222
Tag Description Shells Functions and Types
4223
---------------- ------------------------------ ------ ---------------------
4224
O cc-pVDZ 6 15 3s2p1d
4225
C cc-pVDZ 6 15 3s2p1d
4230
Forming initial guess at 286.2s
4233
Loading old vectors from job with title :
4237
Nuclear repulsion energy = 31.051470937315891
4238
Bq nuclear interaction energy = 0.10428726594149215
4240
Starting SCF solution at 286.2s
4244
----------------------------------------------
4245
Quadratically convergent ROHF
4247
Convergence threshold : 1.000E-10
4248
Maximum no. of iterations : 200
4249
Final Fock-matrix accuracy: 0.000E+00
4250
----------------------------------------------
4253
#quartets = 1.471E+04 #integrals = 3.761E+05 #direct = 0.0% #cached =100.0%
4256
Integral file = /scratch/fmd.aoints.00
4257
Record size in doubles = 65536 No. of integs per rec = 43688
4258
Max. records in memory = 2 Max. records in file = 225827
4259
No. of bits per label = 8 No. of bits per value = 64
4262
File balance: exchanges= 0 moved= 0 time= 0.0
4264
Nuclear repulsion energy = 31.051470937315891
4265
Bq nuclear interaction energy = 0.10428726594149215
4267
iter energy gnorm gmax time
4268
----- ------------------- --------- --------- --------
4269
1 -113.9148464063 7.81E-03 2.10E-03 256.0
4270
Nuclear repulsion energy = 31.051470937315891
4271
Bq nuclear interaction energy = 0.10428726594149215
4272
2 -113.9148518417 5.43E-05 3.33E-05 256.2
4273
Nuclear repulsion energy = 31.051470937315891
4274
Bq nuclear interaction energy = 0.10428726594149215
4275
3 -113.9148518428 3.13E-09 1.14E-09 256.5
4276
Nuclear repulsion energy = 31.051470937315891
4277
Bq nuclear interaction energy = 0.10428726594149215
4278
4 -113.9148518428 8.45E-12 5.53E-12 256.7
4279
Nuclear repulsion energy = 31.051470937315891
4280
Bq nuclear interaction energy = 0.10428726594149215
4286
Total SCF energy = -113.914851842766
4287
One-electron energy = -217.227934880218
4288
Two-electron energy = 72.157324834195
4289
Nuclear repulsion energy = 31.155758203257
4291
Time for solution = 0.8s
4317
ROHF Final Molecular Orbital Analysis
4318
-------------------------------------
4320
Vector 2 Occ=2.000000E+00 E=-1.134283E+01
4321
MO Center= 2.3E-01, 2.2E+00, -5.9E-01, r^2= 2.7E-02
4322
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
4323
----- ------------ --------------- ----- ------------ ---------------
4326
Vector 3 Occ=2.000000E+00 E=-1.396096E+00
4327
MO Center= -5.8E-01, 1.8E+00, -5.6E-01, r^2= 5.0E-01
4328
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
4329
----- ------------ --------------- ----- ------------ ---------------
4330
2 0.409262 1 O s 3 0.388485 1 O s
4331
17 0.207463 2 C s 19 -0.163884 2 C px
4333
Vector 4 Occ=2.000000E+00 E=-8.542463E-01
4334
MO Center= 1.8E-01, 2.1E+00, -5.9E-01, r^2= 1.4E+00
4335
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
4336
----- ------------ --------------- ----- ------------ ---------------
4337
17 0.355309 2 C s 3 -0.260830 1 O s
4338
18 0.234667 2 C s 36 0.226970 4 H s
4339
31 0.226761 3 H s 2 -0.192076 1 O s
4342
Vector 5 Occ=2.000000E+00 E=-6.769430E-01
4343
MO Center= -2.4E-02, 2.0E+00, -5.9E-01, r^2= 1.3E+00
4344
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
4345
----- ------------ --------------- ----- ------------ ---------------
4346
21 0.368902 2 C pz 6 0.333963 1 O pz
4347
36 -0.237060 4 H s 31 0.231478 3 H s
4350
Vector 6 Occ=2.000000E+00 E=-6.505703E-01
4351
MO Center= -5.0E-01, 1.8E+00, -5.5E-01, r^2= 1.3E+00
4352
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
4353
----- ------------ --------------- ----- ------------ ---------------
4354
4 0.435644 1 O px 19 -0.351723 2 C px
4355
7 0.289209 1 O px 3 -0.254921 1 O s
4356
5 0.205433 1 O py 20 -0.169261 2 C py
4358
Vector 7 Occ=2.000000E+00 E=-5.268877E-01
4359
MO Center= -5.5E-01, 1.8E+00, -5.6E-01, r^2= 9.2E-01
4360
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
4361
----- ------------ --------------- ----- ------------ ---------------
4362
5 0.431803 1 O py 8 0.313308 1 O py
4363
20 0.262946 2 C py 4 -0.192743 1 O px
4364
6 0.182211 1 O pz 23 0.150608 2 C py
4366
Vector 8 Occ=2.000000E+00 E=-4.363453E-01
4367
MO Center= -2.7E-01, 1.9E+00, -5.7E-01, r^2= 1.6E+00
4368
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
4369
----- ------------ --------------- ----- ------------ ---------------
4370
6 0.486100 1 O pz 9 0.408263 1 O pz
4371
31 -0.256213 3 H s 36 0.254382 4 H s
4372
21 -0.216665 2 C pz 5 -0.162985 1 O py
4374
Vector 9 Occ=0.000000E+00 E= 1.468336E-01
4375
MO Center= 4.0E-02, 2.1E+00, -5.8E-01, r^2= 1.7E+00
4376
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
4377
----- ------------ --------------- ----- ------------ ---------------
4378
23 0.584990 2 C py 8 -0.417716 1 O py
4379
20 0.370814 2 C py 5 -0.300560 1 O py
4380
22 -0.275484 2 C px 24 0.249845 2 C pz
4381
7 0.195612 1 O px 9 -0.175511 1 O pz
4382
19 -0.173466 2 C px 21 0.156820 2 C pz
4384
Vector 10 Occ=0.000000E+00 E= 2.233670E-01
4385
MO Center= 9.4E-01, 2.4E+00, -4.5E-01, r^2= 4.0E+00
4386
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
4387
----- ------------ --------------- ----- ------------ ---------------
4388
18 1.912375 2 C s 32 -1.499051 3 H s
4389
37 -1.239337 4 H s 22 0.606449 2 C px
4390
23 0.256924 2 C py 19 0.166376 2 C px
4392
Vector 11 Occ=0.000000E+00 E= 2.912128E-01
4393
MO Center= 9.8E-01, 2.6E+00, -7.9E-01, r^2= 4.1E+00
4394
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
4395
----- ------------ --------------- ----- ------------ ---------------
4396
37 1.935277 4 H s 32 -1.742759 3 H s
4397
24 1.292564 2 C pz 23 -0.447220 2 C py
4398
21 0.340950 2 C pz 9 -0.273336 1 O pz
4401
Vector 12 Occ=0.000000E+00 E= 3.718332E-01
4402
MO Center= 1.1E-01, 2.1E+00, -5.9E-01, r^2= 3.0E+00
4403
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
4404
----- ------------ --------------- ----- ------------ ---------------
4405
3 1.814081 1 O s 22 1.556081 2 C px
4406
18 -1.383596 2 C s 23 0.740777 2 C py
4407
7 0.622315 1 O px 8 0.297860 1 O py
4409
Vector 13 Occ=0.000000E+00 E= 6.836949E-01
4410
MO Center= 6.7E-01, 2.5E+00, -5.6E-01, r^2= 1.7E+00
4411
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
4412
----- ------------ --------------- ----- ------------ ---------------
4413
18 1.045640 2 C s 31 -0.769274 3 H s
4414
36 -0.743863 4 H s 30 -0.296991 2 C dzz
4415
22 0.290709 2 C px 29 0.281140 2 C dyz
4416
23 0.281041 2 C py 17 -0.213557 2 C s
4417
32 0.207892 3 H s 16 -0.195616 2 C s
4419
Vector 14 Occ=0.000000E+00 E= 6.959661E-01
4420
MO Center= 3.0E-01, 2.1E+00, -6.3E-01, r^2= 1.9E+00
4421
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
4422
----- ------------ --------------- ----- ------------ ---------------
4423
23 0.893043 2 C py 20 -0.866400 2 C py
4424
22 -0.458200 2 C px 19 0.400459 2 C px
4425
21 -0.360357 2 C pz 24 0.357227 2 C pz
4427
Vector 15 Occ=0.000000E+00 E= 7.559015E-01
4428
MO Center= 5.0E-02, 2.1E+00, -5.9E-01, r^2= 2.3E+00
4429
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
4430
----- ------------ --------------- ----- ------------ ---------------
4431
24 1.927211 2 C pz 36 0.706907 4 H s
4432
31 -0.690405 3 H s 37 0.623674 4 H s
4433
23 -0.620661 2 C py 32 -0.611258 3 H s
4434
22 0.365790 2 C px 9 -0.325027 1 O pz
4435
6 -0.297146 1 O pz 21 -0.277217 2 C pz
4437
Vector 16 Occ=0.000000E+00 E= 8.351158E-01
4438
MO Center= 5.5E-01, 2.3E+00, -5.8E-01, r^2= 2.5E+00
4439
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
4440
----- ------------ --------------- ----- ------------ ---------------
4441
32 1.509838 3 H s 24 -1.508703 2 C pz
4442
37 -1.443432 4 H s 21 0.763863 2 C pz
4443
27 -0.523526 2 C dxz 23 0.473310 2 C py
4444
36 0.365018 4 H s 31 -0.349130 3 H s
4445
22 -0.340322 2 C px 29 -0.266520 2 C dyz
4447
Vector 17 Occ=0.000000E+00 E= 8.939344E-01
4448
MO Center= -2.7E-02, 2.0E+00, -5.9E-01, r^2= 1.5E+00
4449
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
4450
----- ------------ --------------- ----- ------------ ---------------
4451
22 0.949659 2 C px 19 -0.902333 2 C px
4452
18 0.900570 2 C s 37 -0.542961 4 H s
4453
23 0.479938 2 C py 32 -0.450354 3 H s
4454
20 -0.446862 2 C py 7 -0.420723 1 O px
4455
26 -0.306432 2 C dxy 4 -0.267809 1 O px
4457
Vector 18 Occ=0.000000E+00 E= 9.595733E-01
4458
MO Center= 5.7E-01, 2.3E+00, -6.4E-01, r^2= 2.7E+00
4459
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
4460
----- ------------ --------------- ----- ------------ ---------------
4461
18 4.074240 2 C s 17 -1.676349 2 C s
4462
37 -1.325220 4 H s 32 -1.248261 3 H s
4463
16 -0.786651 2 C s 22 0.481199 2 C px
4464
3 -0.455676 1 O s 28 -0.287588 2 C dyy
4465
30 -0.240978 2 C dzz 23 0.239440 2 C py
4470
x = -0.60081482 y = 3.58394928 z = -1.07310639
4472
moments of inertia (a.u.)
4474
15.145468594339 -18.086100672962 0.560220831455
4475
-18.086100672962 44.133682804170 2.620251698095
4476
0.560220831455 2.620251698095 47.958205427249
4478
Mulliken analysis of the total density
4479
--------------------------------------
4481
Atom Charge Shell Charges
4482
----------- ------ -------------------------------------------------------
4483
1 O 8 8.47 2.00 0.83 0.92 2.79 1.90 0.02
4484
2 C 6 5.69 2.00 0.70 0.44 1.82 0.59 0.12
4485
3 H 1 0.93 0.75 0.15 0.03
4486
4 H 1 0.92 0.75 0.13 0.03
4488
Multipole analysis of the density wrt the origin
4489
------------------------------------------------
4491
L x y z total open nuclear
4492
- - - - ----- ---- -------
4493
0 0 0 0 0.000000 0.000000 16.000000
4495
1 1 0 0 1.400122 0.000000 -7.605430
4496
1 0 1 0 0.653147 0.000000 58.312197
4497
1 0 0 1 -0.078807 0.000000 -17.253376
4499
2 2 0 0 -10.042250 0.000000 26.785610
4500
2 1 1 0 4.668125 0.000000 -17.007807
4501
2 1 0 1 -1.470220 0.000000 8.311996
4502
2 0 2 0 -3.680877 0.000000 218.441745
4503
2 0 1 1 -1.080304 0.000000 -65.158567
4504
2 0 0 2 -8.043220 0.000000 24.191835
4506
Nuclear repulsion energy = 31.051470937315891
4507
Bq nuclear interaction energy = 0.10428726594149215
4509
Parallel integral file used 27 records with 0 large values
4511
NWChem Extensible Many-Electron Theory Module
4512
---------------------------------------------
4514
======================================================
4515
This portion of the program was automatically
4516
generated by a Tensor Contraction Engine (TCE).
4517
The development of this portion of the program
4518
and TCE was supported by US Department of Energy,
4519
Office of Science, Office of Basic Energy Science.
4520
TCE is a product of Battelle and PNNL.
4521
Please cite: S.Hirata, J.Phys.Chem.A 107, 9887 (2003).
4522
======================================================
4526
Number of processors : 27
4527
Wavefunction type : Restricted Hartree-Fock
4528
No. of electrons : 16
4531
No. of orbitals : 80
4534
Alpha frozen cores : 0
4535
Beta frozen cores : 0
4536
Alpha frozen virtuals : 0
4537
Beta frozen virtuals : 0
4538
Spin multiplicity : singlet
4539
Number of AO functions : 40
4540
Number of AO shells : 18
4541
Use of symmetry is : off
4542
Symmetry adaption is : off
4543
Schwarz screening : 0.00E+00
4545
Correlation Information
4546
-----------------------
4547
Calculation type : Coupled-cluster singles & doubles
4548
Perturbative correction : none
4549
Max iterations : 200
4550
Residual threshold : 0.10E-05
4551
T(0) DIIS level shift : 0.00E+00
4552
L(0) DIIS level shift : 0.00E+00
4553
T(1) DIIS level shift : 0.00E+00
4554
L(1) DIIS level shift : 0.00E+00
4555
T(R) DIIS level shift : 0.00E+00
4556
T(I) DIIS level shift : 0.00E+00
4557
CC-T/L Amplitude update : 5-th order DIIS
4558
I/O scheme : Global Array Library
4562
Available GA space size is 2654059007 doubles
4563
Available MA space size is 49129373 doubles
4565
Maximum block size supplied by input
4566
Maximum block size 12 doubles
4570
Block Spin Irrep Size Offset Alpha
4571
-------------------------------------------------
4572
1 alpha a 8 doubles 0 1
4573
2 beta a 8 doubles 8 1
4574
3 alpha a 10 doubles 16 3
4575
4 alpha a 11 doubles 26 4
4576
5 alpha a 11 doubles 37 5
4577
6 beta a 10 doubles 48 3
4578
7 beta a 11 doubles 58 4
4579
8 beta a 11 doubles 69 5
4581
Global array virtual files algorithm will be used
4583
Parallel file system coherency ......... OK
4585
#quartets = 1.471E+04 #integrals = 3.761E+05 #direct = 0.0% #cached =100.0%
4588
Integral file = /scratch/fmd.aoints.00
4589
Record size in doubles = 65536 No. of integs per rec = 43688
4590
Max. records in memory = 2 Max. records in file = 225827
4591
No. of bits per label = 8 No. of bits per value = 64
4594
File balance: exchanges= 0 moved= 0 time= 0.0
4597
Fock matrix recomputed
4598
1-e file size = 1600
4599
1-e file name = /scratch/fmd.f1
4600
1-e file handle = -993
4601
Cpu & wall time / sec 0.1 0.2
4603
2-e (intermediate) file size = 5769600
4604
2-e (intermediate) file name = /scratch/fmd.v2i
4605
Cpu & wall time / sec 0.1 0.1
4607
2-e file size = 3566009
4608
2-e file name = /scratch/fmd.v2
4609
2-e file handle = -991
4610
Cpu & wall time / sec 0.1 0.1
4613
t1 file name = /scratch/fmd.t1
4614
t1 file handle = -992
4615
Cpu & wall time / sec 0.0
4619
t2 file size = 109248
4620
t2 file name = /scratch/fmd.t2
4621
t2 file handle = -989
4622
Cpu & wall time / sec 0.0
4625
-----------------------------------------------------------------
4626
Iter Residuum Correlation Cpu Wall V2*C2
4627
-----------------------------------------------------------------
4628
1 0.1517212136926 -0.3227444342752 0.2 0.2 0.0
4629
2 0.0552967998710 -0.3256147373454 0.2 0.2 0.0
4630
3 0.0173724519095 -0.3360811731406 0.1 0.2 0.0
4631
4 0.0105494657250 -0.3366158472841 0.2 0.2 0.0
4632
5 0.0044756546685 -0.3378505703122 0.2 0.2 0.0
4633
MICROCYCLE DIIS UPDATE: 5 5
4634
6 0.0016787616095 -0.3382769810986 0.2 0.2 0.0
4635
7 0.0007067548098 -0.3383867758111 0.2 0.2 0.0
4636
8 0.0003969334102 -0.3383905211808 0.2 0.2 0.0
4637
9 0.0002213815000 -0.3383949007490 0.2 0.2 0.0
4638
10 0.0001326031405 -0.3384000389688 0.2 0.2 0.0
4639
MICROCYCLE DIIS UPDATE: 10 5
4640
11 0.0000238902478 -0.3384066573606 0.1 0.2 0.0
4641
12 0.0000133383076 -0.3384072166603 0.2 0.2 0.0
4642
13 0.0000091018368 -0.3384082313599 0.2 0.2 0.0
4643
14 0.0000068980130 -0.3384082849188 0.2 0.2 0.0
4644
15 0.0000053015737 -0.3384084069067 0.2 0.2 0.0
4645
MICROCYCLE DIIS UPDATE: 15 5
4646
16 0.0000011675730 -0.3384083987577 0.2 0.2 0.0
4647
17 0.0000005990820 -0.3384084894853 0.1 0.2 0.0
4648
-----------------------------------------------------------------
4649
Iterations converged
4650
CCSD correlation energy / hartree = -0.338408489485303
4651
CCSD total energy / hartree = -114.253260332251187
4653
Singles contributions
4655
Doubles contributions
4656
9a (alpha) 9a (beta ) --- 7a (alpha) 7a (beta ) -0.1173158857
4658
CCSD Lambda iterations
4659
--------------------------------------
4660
Iter Residuum Cpu Wall
4661
--------------------------------------
4662
1 1.6754381237200 0.4 0.6
4663
2 0.0293299638864 0.5 0.6
4664
3 0.0031831143742 0.5 0.6
4665
4 0.0003678053831 0.5 0.6
4666
5 0.0001069394598 0.5 0.6
4667
MICROCYCLE DIIS UPDATE: 5 5
4668
6 0.0000239674762 0.5 0.6
4669
7 0.0000046321084 0.4 0.6
4670
8 0.0000014885582 0.5 0.6
4671
9 0.0000004829373 0.5 0.6
4672
--------------------------------------
4673
Iterations converged
4676
--------------------------------------
4677
Iter Residuum Cpu Wall
4678
--------------------------------------
4679
1 0.0234868703552 0.0 0.0
4680
2 0.0076580606637 0.0 0.0
4681
3 0.0030605421967 0.0 0.0
4682
4 0.0027679448759 0.0 0.0
4683
5 0.0017241608206 0.0 0.0
4684
MICROCYCLE DIIS UPDATE: 5 5
4685
6 0.0003199774513 0.0 0.0
4686
7 0.0001725887342 0.0 0.0
4687
8 0.0000812603030 0.0 0.0
4688
9 0.0000691358076 0.0 0.0
4689
10 0.0000366301928 0.0 0.0
4690
MICROCYCLE DIIS UPDATE: 10 5
4691
11 0.0000046481289 0.0 0.0
4692
12 0.0000023124108 0.0 0.0
4693
13 0.0000011579402 0.0 0.0
4694
14 0.0000009761031 0.0 0.0
4695
--------------------------------------
4696
Iterations converged
4698
NWChem Gradients Module
4699
-----------------------
4703
wavefunction = TCE RHF CCSD
4707
ccsd ENERGY GRADIENTS
4709
atom coordinates gradient
4711
1 O -1.634018 3.085659 -1.027509 0.013484 0.001940 0.002855
4712
2 C 0.436027 4.083862 -1.119699 -0.001272 0.000542 -0.001997
4713
3 H 1.758414 4.022248 0.507288 0.000479 -0.000033 0.000868
4714
4 H 1.092138 5.101508 -2.822401 -0.001017 -0.000101 0.001347
4716
----------------------------------------
4717
| Time | 1-e(secs) | 2-e(secs) |
4718
----------------------------------------
4719
| CPU | 0.10 | 0.14 |
4720
----------------------------------------
4721
| WALL | 0.15 | 0.14 |
4722
----------------------------------------
4724
Parallel integral file used 27 records with 0 large values
4726
Bq nuclear interaction energy = 0.10428726594149215
4727
------------------------------------------------------------------------
4729
------------------------------------------------------------------------
4730
quantum energy -114.253260332 (-.299972E+06 kjoule/mol)
4731
quantum energy adjusted -114.253260332 (-.299972E+06 kjoule/mol)
4732
quantum energy internal -114.357547598 (-.300246E+06 kjoule/mol)
4733
Bq-nuclear energy 0.104287266 (0.273806E+03 kjoule/mol)
4734
Bq-electron energy 0.000000000 (0.000000E+00 kjoule/mol)
4735
classical energy -7.460590753 (-.195878E+05 kjoule/mol)
4736
total qmmm energy -121.713851085 (-.319560E+06 kjoule/mol)
4737
------------------------------------------------------------------------
4739
Total number of active Bq charges 0
4740
frozen_density,esp T T
4741
disabling frozen_density,esp due to active qm atoms
4747
ao basis = "ao basis"
4754
input vectors = /home/d3p975/codes/nwchem-svn/nwchem/QA/tests/tce_qmmm_ccsd_opt/perm/fmd.movecs
4755
output vectors = /home/d3p975/codes/nwchem-svn/nwchem/QA/tests/tce_qmmm_ccsd_opt/perm/fmd.movecs
4760
Summary of "ao basis" -> "ao basis" (cartesian)
4761
------------------------------------------------------------------------------
4762
Tag Description Shells Functions and Types
4763
---------------- ------------------------------ ------ ---------------------
4764
O cc-pVDZ 6 15 3s2p1d
4765
C cc-pVDZ 6 15 3s2p1d
4770
Forming initial guess at 325.8s
4773
Loading old vectors from job with title :
4777
Nuclear repulsion energy = 31.052558332384677
4778
Bq nuclear interaction energy = 0.10318961420235116
4780
Starting SCF solution at 325.8s
4784
----------------------------------------------
4785
Quadratically convergent ROHF
4787
Convergence threshold : 1.000E-10
4788
Maximum no. of iterations : 200
4789
Final Fock-matrix accuracy: 0.000E+00
4790
----------------------------------------------
4793
#quartets = 1.471E+04 #integrals = 3.754E+05 #direct = 0.0% #cached =100.0%
4796
Integral file = /scratch/fmd.aoints.00
4797
Record size in doubles = 65536 No. of integs per rec = 43688
4798
Max. records in memory = 2 Max. records in file = 225827
4799
No. of bits per label = 8 No. of bits per value = 64
4802
File balance: exchanges= 0 moved= 0 time= 0.0
4804
Nuclear repulsion energy = 31.052558332384677
4805
Bq nuclear interaction energy = 0.10318961420235116
4807
iter energy gnorm gmax time
4808
----- ------------------- --------- --------- --------
4809
1 -113.9148259322 6.77E-03 1.82E-03 291.8
4810
Nuclear repulsion energy = 31.052558332384677
4811
Bq nuclear interaction energy = 0.10318961420235116
4812
2 -113.9148300197 1.78E-05 7.73E-06 292.0
4813
Nuclear repulsion energy = 31.052558332384677
4814
Bq nuclear interaction energy = 0.10318961420235116
4815
3 -113.9148300198 2.62E-10 9.46E-11 292.3
4816
Nuclear repulsion energy = 31.052558332384677
4817
Bq nuclear interaction energy = 0.10318961420235116
4818
4 -113.9148300198 5.55E-12 2.18E-12 292.5
4819
Nuclear repulsion energy = 31.052558332384677
4820
Bq nuclear interaction energy = 0.10318961420235116
4826
Total SCF energy = -113.914830019799
4827
One-electron energy = -217.228936630902
4828
Two-electron energy = 72.158358664516
4829
Nuclear repulsion energy = 31.155747946587
4831
Time for solution = 0.8s
4857
ROHF Final Molecular Orbital Analysis
4858
-------------------------------------
4860
Vector 2 Occ=2.000000E+00 E=-1.134276E+01
4861
MO Center= 2.3E-01, 2.2E+00, -5.9E-01, r^2= 2.7E-02
4862
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
4863
----- ------------ --------------- ----- ------------ ---------------
4866
Vector 3 Occ=2.000000E+00 E=-1.396054E+00
4867
MO Center= -5.8E-01, 1.8E+00, -5.6E-01, r^2= 5.0E-01
4868
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
4869
----- ------------ --------------- ----- ------------ ---------------
4870
2 0.409254 1 O s 3 0.388450 1 O s
4871
17 0.207480 2 C s 19 -0.163942 2 C px
4873
Vector 4 Occ=2.000000E+00 E=-8.541543E-01
4874
MO Center= 1.8E-01, 2.1E+00, -5.8E-01, r^2= 1.4E+00
4875
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
4876
----- ------------ --------------- ----- ------------ ---------------
4877
17 0.355297 2 C s 3 -0.260874 1 O s
4878
18 0.234649 2 C s 31 0.228085 3 H s
4879
36 0.225603 4 H s 2 -0.192107 1 O s
4882
Vector 5 Occ=2.000000E+00 E=-6.769101E-01
4883
MO Center= -2.1E-02, 2.0E+00, -5.8E-01, r^2= 1.3E+00
4884
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
4885
----- ------------ --------------- ----- ------------ ---------------
4886
21 0.368723 2 C pz 6 0.334214 1 O pz
4887
36 -0.235852 4 H s 31 0.232826 3 H s
4890
Vector 6 Occ=2.000000E+00 E=-6.504931E-01
4891
MO Center= -5.0E-01, 1.8E+00, -5.5E-01, r^2= 1.3E+00
4892
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
4893
----- ------------ --------------- ----- ------------ ---------------
4894
4 0.436856 1 O px 19 -0.350988 2 C px
4895
7 0.289974 1 O px 3 -0.254950 1 O s
4896
5 0.203648 1 O py 20 -0.170660 2 C py
4898
Vector 7 Occ=2.000000E+00 E=-5.268331E-01
4899
MO Center= -5.5E-01, 1.8E+00, -5.6E-01, r^2= 9.2E-01
4900
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
4901
----- ------------ --------------- ----- ------------ ---------------
4902
5 0.431569 1 O py 8 0.313129 1 O py
4903
20 0.262865 2 C py 4 -0.192848 1 O px
4904
6 0.182574 1 O pz 23 0.150566 2 C py
4906
Vector 8 Occ=2.000000E+00 E=-4.362685E-01
4907
MO Center= -2.6E-01, 1.9E+00, -5.7E-01, r^2= 1.6E+00
4908
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
4909
----- ------------ --------------- ----- ------------ ---------------
4910
6 0.486079 1 O pz 9 0.408228 1 O pz
4911
31 -0.255665 3 H s 36 0.254893 4 H s
4912
21 -0.216600 2 C pz 5 -0.164112 1 O py
4914
Vector 9 Occ=0.000000E+00 E= 1.469073E-01
4915
MO Center= 4.2E-02, 2.1E+00, -5.8E-01, r^2= 1.7E+00
4916
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
4917
----- ------------ --------------- ----- ------------ ---------------
4918
23 0.584711 2 C py 8 -0.417570 1 O py
4919
20 0.370587 2 C py 5 -0.300437 1 O py
4920
22 -0.275770 2 C px 24 0.250293 2 C pz
4921
7 0.195771 1 O px 9 -0.175844 1 O pz
4922
19 -0.173608 2 C px 21 0.157082 2 C pz
4924
Vector 10 Occ=0.000000E+00 E= 2.233910E-01
4925
MO Center= 9.4E-01, 2.4E+00, -4.5E-01, r^2= 4.0E+00
4926
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
4927
----- ------------ --------------- ----- ------------ ---------------
4928
18 1.912942 2 C s 32 -1.500544 3 H s
4929
37 -1.238354 4 H s 22 0.605955 2 C px
4930
23 0.257296 2 C py 19 0.166129 2 C px
4932
Vector 11 Occ=0.000000E+00 E= 2.911960E-01
4933
MO Center= 9.8E-01, 2.6E+00, -7.9E-01, r^2= 4.1E+00
4934
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
4935
----- ------------ --------------- ----- ------------ ---------------
4936
37 1.930214 4 H s 32 -1.747735 3 H s
4937
24 1.292556 2 C pz 23 -0.448537 2 C py
4938
21 0.340894 2 C pz 9 -0.273329 1 O pz
4941
Vector 12 Occ=0.000000E+00 E= 3.719020E-01
4942
MO Center= 1.1E-01, 2.1E+00, -5.9E-01, r^2= 3.0E+00
4943
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
4944
----- ------------ --------------- ----- ------------ ---------------
4945
3 1.814192 1 O s 22 1.556785 2 C px
4946
18 -1.383847 2 C s 23 0.739699 2 C py
4947
7 0.622449 1 O px 8 0.297623 1 O py
4949
Vector 13 Occ=0.000000E+00 E= 6.835984E-01
4950
MO Center= 6.7E-01, 2.5E+00, -5.6E-01, r^2= 1.7E+00
4951
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
4952
----- ------------ --------------- ----- ------------ ---------------
4953
18 1.046446 2 C s 31 -0.765611 3 H s
4954
36 -0.747689 4 H s 30 -0.296982 2 C dzz
4955
22 0.291216 2 C px 29 0.282294 2 C dyz
4956
23 0.278067 2 C py 17 -0.213823 2 C s
4957
32 0.199410 3 H s 16 -0.195742 2 C s
4959
Vector 14 Occ=0.000000E+00 E= 6.960106E-01
4960
MO Center= 3.0E-01, 2.1E+00, -6.3E-01, r^2= 1.9E+00
4961
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
4962
----- ------------ --------------- ----- ------------ ---------------
4963
23 0.893135 2 C py 20 -0.866217 2 C py
4964
22 -0.458162 2 C px 19 0.400901 2 C px
4965
21 -0.360795 2 C pz 24 0.357425 2 C pz
4967
Vector 15 Occ=0.000000E+00 E= 7.561342E-01
4968
MO Center= 5.1E-02, 2.1E+00, -5.9E-01, r^2= 2.3E+00
4969
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
4970
----- ------------ --------------- ----- ------------ ---------------
4971
24 1.927703 2 C pz 36 0.705065 4 H s
4972
31 -0.692130 3 H s 23 -0.619079 2 C py
4973
32 -0.618789 3 H s 37 0.618268 4 H s
4974
22 0.373313 2 C px 9 -0.325002 1 O pz
4975
6 -0.297110 1 O pz 21 -0.277404 2 C pz
4977
Vector 16 Occ=0.000000E+00 E= 8.352257E-01
4978
MO Center= 5.5E-01, 2.3E+00, -5.8E-01, r^2= 2.5E+00
4979
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
4980
----- ------------ --------------- ----- ------------ ---------------
4981
24 1.508630 2 C pz 32 -1.502145 3 H s
4982
37 1.451690 4 H s 21 -0.764296 2 C pz
4983
27 0.523962 2 C dxz 23 -0.480760 2 C py
4984
36 -0.364222 4 H s 31 0.351107 3 H s
4985
22 0.326784 2 C px 29 0.265174 2 C dyz
4987
Vector 17 Occ=0.000000E+00 E= 8.940267E-01
4988
MO Center= -2.4E-02, 2.0E+00, -5.8E-01, r^2= 1.5E+00
4989
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
4990
----- ------------ --------------- ----- ------------ ---------------
4991
22 0.952444 2 C px 18 0.907448 2 C s
4992
19 -0.904169 2 C px 37 -0.531003 4 H s
4993
23 0.477269 2 C py 32 -0.466151 3 H s
4994
20 -0.444948 2 C py 7 -0.420911 1 O px
4995
26 -0.307869 2 C dxy 4 -0.267345 1 O px
4997
Vector 18 Occ=0.000000E+00 E= 9.596000E-01
4998
MO Center= 5.7E-01, 2.3E+00, -6.3E-01, r^2= 2.7E+00
4999
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
5000
----- ------------ --------------- ----- ------------ ---------------
5001
18 4.073038 2 C s 17 -1.676850 2 C s
5002
37 -1.316617 4 H s 32 -1.255469 3 H s
5003
16 -0.786831 2 C s 22 0.480297 2 C px
5004
3 -0.456169 1 O s 28 -0.288298 2 C dyy
5005
30 -0.241412 2 C dzz 23 0.237459 2 C py
5010
x = -0.59854800 y = 3.58522831 z = -1.07151153
5012
moments of inertia (a.u.)
5014
15.133877232748 -18.078385252243 0.486537584743
5015
-18.078385252243 44.132973697969 2.588861549910
5016
0.486537584743 2.588861549910 47.959229820328
5018
Mulliken analysis of the total density
5019
--------------------------------------
5021
Atom Charge Shell Charges
5022
----------- ------ -------------------------------------------------------
5023
1 O 8 8.47 2.00 0.83 0.92 2.79 1.90 0.02
5024
2 C 6 5.69 2.00 0.70 0.44 1.82 0.59 0.12
5025
3 H 1 0.93 0.75 0.15 0.03
5026
4 H 1 0.92 0.75 0.13 0.03
5028
Multipole analysis of the density wrt the origin
5029
------------------------------------------------
5031
L x y z total open nuclear
5032
- - - - ----- ---- -------
5033
0 0 0 0 0.000000 0.000000 16.000000
5035
1 1 0 0 1.400194 0.000000 -7.569948
5036
1 0 1 0 0.652314 0.000000 58.333168
5037
1 0 0 1 -0.074824 0.000000 -17.226731
5039
2 2 0 0 -10.035977 0.000000 26.750718
5040
2 1 1 0 4.671285 0.000000 -16.891781
5041
2 1 0 1 -1.468103 0.000000 8.297124
5042
2 0 2 0 -3.685845 0.000000 218.595530
5043
2 0 1 1 -1.063436 0.000000 -65.071114
5044
2 0 0 2 -8.051701 0.000000 24.131027
5046
Nuclear repulsion energy = 31.052558332384677
5047
Bq nuclear interaction energy = 0.10318961420235116
5049
Parallel integral file used 27 records with 0 large values
5051
NWChem Extensible Many-Electron Theory Module
5052
---------------------------------------------
5054
======================================================
5055
This portion of the program was automatically
5056
generated by a Tensor Contraction Engine (TCE).
5057
The development of this portion of the program
5058
and TCE was supported by US Department of Energy,
5059
Office of Science, Office of Basic Energy Science.
5060
TCE is a product of Battelle and PNNL.
5061
Please cite: S.Hirata, J.Phys.Chem.A 107, 9887 (2003).
5062
======================================================
5066
Number of processors : 27
5067
Wavefunction type : Restricted Hartree-Fock
5068
No. of electrons : 16
5071
No. of orbitals : 80
5074
Alpha frozen cores : 0
5075
Beta frozen cores : 0
5076
Alpha frozen virtuals : 0
5077
Beta frozen virtuals : 0
5078
Spin multiplicity : singlet
5079
Number of AO functions : 40
5080
Number of AO shells : 18
5081
Use of symmetry is : off
5082
Symmetry adaption is : off
5083
Schwarz screening : 0.00E+00
5085
Correlation Information
5086
-----------------------
5087
Calculation type : Coupled-cluster singles & doubles
5088
Perturbative correction : none
5089
Max iterations : 200
5090
Residual threshold : 0.10E-05
5091
T(0) DIIS level shift : 0.00E+00
5092
L(0) DIIS level shift : 0.00E+00
5093
T(1) DIIS level shift : 0.00E+00
5094
L(1) DIIS level shift : 0.00E+00
5095
T(R) DIIS level shift : 0.00E+00
5096
T(I) DIIS level shift : 0.00E+00
5097
CC-T/L Amplitude update : 5-th order DIIS
5098
I/O scheme : Global Array Library
5102
Available GA space size is 2654059007 doubles
5103
Available MA space size is 49129373 doubles
5105
Maximum block size supplied by input
5106
Maximum block size 12 doubles
5110
Block Spin Irrep Size Offset Alpha
5111
-------------------------------------------------
5112
1 alpha a 8 doubles 0 1
5113
2 beta a 8 doubles 8 1
5114
3 alpha a 10 doubles 16 3
5115
4 alpha a 11 doubles 26 4
5116
5 alpha a 11 doubles 37 5
5117
6 beta a 10 doubles 48 3
5118
7 beta a 11 doubles 58 4
5119
8 beta a 11 doubles 69 5
5121
Global array virtual files algorithm will be used
5123
Parallel file system coherency ......... OK
5125
#quartets = 1.471E+04 #integrals = 3.754E+05 #direct = 0.0% #cached =100.0%
5128
Integral file = /scratch/fmd.aoints.00
5129
Record size in doubles = 65536 No. of integs per rec = 43688
5130
Max. records in memory = 2 Max. records in file = 225827
5131
No. of bits per label = 8 No. of bits per value = 64
5134
File balance: exchanges= 0 moved= 0 time= 0.0
5137
Fock matrix recomputed
5138
1-e file size = 1600
5139
1-e file name = /scratch/fmd.f1
5140
1-e file handle = -993
5141
Cpu & wall time / sec 0.1 0.1
5143
2-e (intermediate) file size = 5769600
5144
2-e (intermediate) file name = /scratch/fmd.v2i
5145
Cpu & wall time / sec 0.1 0.1
5147
2-e file size = 3566009
5148
2-e file name = /scratch/fmd.v2
5149
2-e file handle = -991
5150
Cpu & wall time / sec 0.1 0.1
5153
t1 file name = /scratch/fmd.t1
5154
t1 file handle = -992
5155
Cpu & wall time / sec 0.0
5159
t2 file size = 109248
5160
t2 file name = /scratch/fmd.t2
5161
t2 file handle = -989
5162
Cpu & wall time / sec 0.0
5165
-----------------------------------------------------------------
5166
Iter Residuum Correlation Cpu Wall V2*C2
5167
-----------------------------------------------------------------
5168
1 0.1517183070051 -0.3227419620632 0.2 0.2 0.0
5169
2 0.0552900879783 -0.3256145264357 0.2 0.2 0.0
5170
3 0.0173712868162 -0.3360793690122 0.2 0.2 0.0
5171
4 0.0105469759266 -0.3366145627597 0.2 0.2 0.0
5172
5 0.0044749021560 -0.3378488855238 0.2 0.2 0.0
5173
MICROCYCLE DIIS UPDATE: 5 5
5174
6 0.0016781822837 -0.3382752623619 0.2 0.2 0.0
5175
7 0.0007065190999 -0.3383850414413 0.2 0.2 0.0
5176
8 0.0003967923267 -0.3383887830545 0.2 0.2 0.0
5177
9 0.0002213116391 -0.3383931608562 0.2 0.2 0.0
5178
10 0.0001325709858 -0.3383982960647 0.1 0.2 0.0
5179
MICROCYCLE DIIS UPDATE: 10 5
5180
11 0.0000239423359 -0.3384049141120 0.2 0.2 0.0
5181
12 0.0000133979523 -0.3384054701592 0.2 0.2 0.0
5182
13 0.0000091589503 -0.3384064840295 0.2 0.2 0.0
5183
14 0.0000069448858 -0.3384065370671 0.2 0.2 0.0
5184
15 0.0000053393112 -0.3384066588079 0.2 0.2 0.0
5185
MICROCYCLE DIIS UPDATE: 15 5
5186
16 0.0000011671791 -0.3384066503494 0.2 0.2 0.0
5187
17 0.0000005979178 -0.3384067410497 0.2 0.2 0.0
5188
-----------------------------------------------------------------
5189
Iterations converged
5190
CCSD correlation energy / hartree = -0.338406741049655
5191
CCSD total energy / hartree = -114.253236760848793
5193
Singles contributions
5195
Doubles contributions
5196
9a (alpha) 9a (beta ) --- 7a (alpha) 7a (beta ) -0.1173169388
5198
CCSD Lambda iterations
5199
--------------------------------------
5200
Iter Residuum Cpu Wall
5201
--------------------------------------
5202
1 1.6754429306621 0.5 0.6
5203
2 0.0293275206894 0.5 0.6
5204
3 0.0031821257855 0.4 0.6
5205
4 0.0003677097263 0.5 0.6
5206
5 0.0001068855325 0.5 0.6
5207
MICROCYCLE DIIS UPDATE: 5 5
5208
6 0.0000239591797 0.5 0.6
5209
7 0.0000046290335 0.5 0.6
5210
8 0.0000014875356 0.5 0.6
5211
9 0.0000004825334 0.5 0.6
5212
--------------------------------------
5213
Iterations converged
5216
--------------------------------------
5217
Iter Residuum Cpu Wall
5218
--------------------------------------
5219
1 0.0234858786174 0.0 0.0
5220
2 0.0076566803237 0.0 0.0
5221
3 0.0030598912631 0.0 0.0
5222
4 0.0027671098218 0.0 0.0
5223
5 0.0017236359859 0.0 0.0
5224
MICROCYCLE DIIS UPDATE: 5 5
5225
6 0.0003198586715 0.0 0.0
5226
7 0.0001725530597 0.0 0.0
5227
8 0.0000812404343 0.0 0.0
5228
9 0.0000691193095 0.0 0.0
5229
10 0.0000366191129 0.0 0.0
5230
MICROCYCLE DIIS UPDATE: 10 5
5231
11 0.0000046486159 0.0 0.0
5232
12 0.0000023135318 0.0 0.0
5233
13 0.0000011601255 0.0 0.0
5234
14 0.0000009768715 0.0 0.0
5235
--------------------------------------
5236
Iterations converged
5238
NWChem Gradients Module
5239
-----------------------
5243
wavefunction = TCE RHF CCSD
5247
ccsd ENERGY GRADIENTS
5249
atom coordinates gradient
5251
1 O -1.631926 3.087278 -1.028264 0.013526 0.002100 0.002550
5252
2 C 0.438660 4.084601 -1.115163 -0.000853 -0.000204 0.000158
5253
3 H 1.758025 4.021764 0.510061 -0.000132 0.000054 0.000004
5254
4 H 1.095475 5.105569 -2.819702 -0.000850 0.000409 0.000343
5256
----------------------------------------
5257
| Time | 1-e(secs) | 2-e(secs) |
5258
----------------------------------------
5259
| CPU | 0.09 | 0.14 |
5260
----------------------------------------
5261
| WALL | 0.15 | 0.14 |
5262
----------------------------------------
5264
Parallel integral file used 27 records with 0 large values
5266
Bq nuclear interaction energy = 0.10318961420235116
5267
------------------------------------------------------------------------
5269
------------------------------------------------------------------------
5270
quantum energy -114.253236761 (-.299972E+06 kjoule/mol)
5271
quantum energy adjusted -114.253236761 (-.299972E+06 kjoule/mol)
5272
quantum energy internal -114.356426375 (-.300243E+06 kjoule/mol)
5273
Bq-nuclear energy 0.103189614 (0.270924E+03 kjoule/mol)
5274
Bq-electron energy 0.000000000 (0.000000E+00 kjoule/mol)
5275
classical energy -7.460618730 (-.195879E+05 kjoule/mol)
5276
total qmmm energy -121.713855491 (-.319560E+06 kjoule/mol)
5277
------------------------------------------------------------------------
5280
At iterate 6 f= -1.21714E+02 |proj g|= 2.45392E-04
5282
Step Energy Delta E Gmax Grms Xrms Xmax Walltime
5283
---- ---------------- -------- -------- -------- -------- -------- --------
5284
@ 6 -121.71385549 -1.0E-07 0.00025 0.00015 0.00039 0.00069 365.7
5288
@ Optimizing mm region with sd
5289
@ and esp fitted charges for the qm region
5292
@ Step Energy Delta E SGrms WGrms Xmax
5293
@ ---- ---------------- -------- -------- -------- --------
5294
Total number of active Bq charges 1083
5295
frozen_density,esp T T
5297
NWChem Property Module
5298
----------------------
5301
Total number of active Bq charges 1083
5302
frozen_density,esp T T
5303
disabling frozen_density,esp due to active qm atoms
5309
ao basis = "ao basis"
5316
input vectors = /home/d3p975/codes/nwchem-svn/nwchem/QA/tests/tce_qmmm_ccsd_opt/perm/fmd.movecs
5317
output vectors = /home/d3p975/codes/nwchem-svn/nwchem/QA/tests/tce_qmmm_ccsd_opt/perm/fmd.movecs
5322
Summary of "ao basis" -> "ao basis" (cartesian)
5323
------------------------------------------------------------------------------
5324
Tag Description Shells Functions and Types
5325
---------------- ------------------------------ ------ ---------------------
5326
O cc-pVDZ 6 15 3s2p1d
5327
C cc-pVDZ 6 15 3s2p1d
5332
The SCF is already converged
5334
Total SCF energy = -113.914830019799
5336
NWChem Extensible Many-Electron Theory Module
5337
---------------------------------------------
5339
======================================================
5340
This portion of the program was automatically
5341
generated by a Tensor Contraction Engine (TCE).
5342
The development of this portion of the program
5343
and TCE was supported by US Department of Energy,
5344
Office of Science, Office of Basic Energy Science.
5345
TCE is a product of Battelle and PNNL.
5346
Please cite: S.Hirata, J.Phys.Chem.A 107, 9887 (2003).
5347
======================================================
5351
Number of processors : 27
5352
Wavefunction type : Restricted Hartree-Fock
5353
No. of electrons : 16
5356
No. of orbitals : 80
5359
Alpha frozen cores : 0
5360
Beta frozen cores : 0
5361
Alpha frozen virtuals : 0
5362
Beta frozen virtuals : 0
5363
Spin multiplicity : singlet
5364
Number of AO functions : 40
5365
Number of AO shells : 18
5366
Use of symmetry is : off
5367
Symmetry adaption is : off
5368
Schwarz screening : 0.00E+00
5370
Correlation Information
5371
-----------------------
5372
Calculation type : Coupled-cluster singles & doubles
5373
Perturbative correction : none
5374
Max iterations : 200
5375
Residual threshold : 0.10E-05
5376
T(0) DIIS level shift : 0.00E+00
5377
L(0) DIIS level shift : 0.00E+00
5378
T(1) DIIS level shift : 0.00E+00
5379
L(1) DIIS level shift : 0.00E+00
5380
T(R) DIIS level shift : 0.00E+00
5381
T(I) DIIS level shift : 0.00E+00
5382
CC-T/L Amplitude update : 5-th order DIIS
5383
I/O scheme : Global Array Library
5387
Available GA space size is 2654059007 doubles
5388
Available MA space size is 49124622 doubles
5390
Maximum block size supplied by input
5391
Maximum block size 12 doubles
5395
Block Spin Irrep Size Offset Alpha
5396
-------------------------------------------------
5397
1 alpha a 8 doubles 0 1
5398
2 beta a 8 doubles 8 1
5399
3 alpha a 10 doubles 16 3
5400
4 alpha a 11 doubles 26 4
5401
5 alpha a 11 doubles 37 5
5402
6 beta a 10 doubles 48 3
5403
7 beta a 11 doubles 58 4
5404
8 beta a 11 doubles 69 5
5406
Global array virtual files algorithm will be used
5408
Parallel file system coherency ......... OK
5410
#quartets = 1.471E+04 #integrals = 3.754E+05 #direct = 0.0% #cached =100.0%
5413
Integral file = /scratch/fmd.aoints.00
5414
Record size in doubles = 65536 No. of integs per rec = 43688
5415
Max. records in memory = 2 Max. records in file = 225827
5416
No. of bits per label = 8 No. of bits per value = 64
5419
File balance: exchanges= 0 moved= 0 time= 0.0
5422
Fock matrix recomputed
5423
1-e file size = 1600
5424
1-e file name = /scratch/fmd.f1
5425
Cpu & wall time / sec 0.1 0.1
5428
half-transformed integrals in memory
5430
2-e (intermediate) file size = 5769600
5431
2-e (intermediate) file name = /scratch/fmd.v2i
5432
Cpu & wall time / sec 0.1 0.1
5435
2-e integrals stored in memory
5437
2-e file size = 3566009
5438
2-e file name = /scratch/fmd.v2
5439
Cpu & wall time / sec 0.1 0.1
5440
T1-number-of-tasks 3
5443
t1 file name = /scratch/fmd.t1
5444
t1 file handle = -992
5445
T2-number-of-boxes 15
5447
t2 file size = 109248
5448
t2 file name = /scratch/fmd.t2
5449
t2 file handle = -989
5452
-----------------------------------------------------------------
5453
Iter Residuum Correlation Cpu Wall V2*C2
5454
-----------------------------------------------------------------
5455
1 0.1629666237291 -0.3297641273630 0.2 0.2 0.0
5456
2 0.0440856197730 -0.3404660438463 0.2 0.2 0.0
5457
3 0.0196186349391 -0.3477905705259 0.2 0.2 0.0
5458
4 0.0091615430000 -0.3498101042715 0.2 0.2 0.0
5459
5 0.0050070126292 -0.3507044226608 0.2 0.2 0.0
5460
MICROCYCLE DIIS UPDATE: 5 5
5461
6 0.0012020661323 -0.3514239652753 0.2 0.2 0.0
5462
7 0.0004798174706 -0.3515701139603 0.2 0.2 0.0
5463
8 0.0002525216369 -0.3515469881726 0.2 0.2 0.0
5464
9 0.0001429012969 -0.3515555589605 0.2 0.2 0.0
5465
10 0.0000901946755 -0.3515555062677 0.2 0.2 0.0
5466
MICROCYCLE DIIS UPDATE: 10 5
5467
11 0.0000338116939 -0.3515606727483 0.2 0.2 0.0
5468
12 0.0000235014924 -0.3515606820738 0.2 0.2 0.0
5469
13 0.0000183669867 -0.3515610240117 0.1 0.2 0.0
5470
14 0.0000147151620 -0.3515610222571 0.2 0.2 0.0
5471
15 0.0000118069777 -0.3515609976098 0.2 0.2 0.0
5472
MICROCYCLE DIIS UPDATE: 15 5
5473
16 0.0000015557171 -0.3515606942997 0.2 0.2 0.0
5474
17 0.0000006737635 -0.3515609395319 0.2 0.2 0.0
5475
-----------------------------------------------------------------
5476
Iterations converged
5477
CCSD correlation energy / hartree = -0.351560939531858
5478
CCSD total energy / hartree = -114.266390959330991
5480
Singles contributions
5481
9a (alpha) --- 7a (alpha) 0.1040458014
5483
Doubles contributions
5484
9a (alpha) 9a (beta ) --- 7a (alpha) 7a (beta ) -0.1319708833
5486
Parallel integral file used 27 records with 0 large values
5488
------------------------------------------------------------------------
5490
------------------------------------------------------------------------
5491
quantum energy -114.266390959 (-.300006E+06 kjoule/mol)
5492
quantum energy adjusted -114.266390959 (-.300006E+06 kjoule/mol)
5493
classical energy -7.460618730 (-.195879E+05 kjoule/mol)
5494
total qmmm energy -121.727009690 (-.319594E+06 kjoule/mol)
5495
------------------------------------------------------------------------
5498
---------------------------------------------
5499
Electrostatic potential/diamagnetic shielding
5500
---------------------------------------------
5502
1 a.u. = 9.07618 esu/cm ( or statvolts )
5503
Point X Y Z Total Potential(a.u.) Diamagnetic shielding(a.u.)
5504
1 pt -10.84723 -20.95205 -11.78144 -0.001043 0.557456
5505
2 pt -9.86955 -19.74674 -10.70327 -0.001174 0.594241
5506
3 pt -12.23975 -21.72294 -10.76278 -0.001040 0.541874
5507
4 pt -13.12430 -10.66219 -18.89844 -0.001206 0.613890
5508
5 pt -13.17479 -12.55121 -18.91046 -0.001118 0.588769
5509
6 pt -11.56402 -10.06708 -19.78300 -0.001133 0.623514
5510
7 pt -16.79698 -8.14739 -16.53412 -0.001512 0.632355
5511
8 pt -17.27883 -9.23444 -15.06538 -0.001592 0.632787
5512
9 pt -15.30716 -8.90378 -17.41696 -0.001423 0.632084
5513
10 pt -17.30897 -10.90329 -12.00970 -0.001784 0.648113
5514
11 pt -18.50874 -9.94796 -10.90563 -0.001887 0.652623
5515
12 pt -16.21978 -12.01826 -10.94126 -0.001850 0.661207
5516
13 pt -12.84229 -7.70712 -11.71752 -0.002569 0.808890
5517
14 pt -11.59319 -8.74066 -10.74664 -0.002705 0.835259
5518
15 pt -14.34453 -8.77081 -12.14520 -0.002215 0.742130
5519
16 pt -16.85205 -17.68010 -11.06739 -0.001284 0.559568
5520
17 pt -15.76931 -16.30360 -10.35749 -0.001472 0.599189
5521
18 pt -18.60008 -17.53383 -10.36448 -0.001275 0.546359
5522
19 pt -7.79410 -18.14783 -8.64777 -0.001400 0.662511
5523
20 pt -7.25183 -19.87406 -8.10265 -0.001221 0.629523
5524
21 pt -7.82012 -16.99301 -7.15218 -0.001648 0.705650
5525
22 pt -14.30789 -19.61047 -15.39045 -0.000975 0.523832
5526
23 pt -12.76606 -20.03958 -14.38561 -0.000997 0.537711
5527
24 pt -15.61427 -18.85789 -14.25112 -0.001066 0.531981
5528
25 pt -9.64832 -10.74055 -8.91995 -0.002738 0.855946
5529
26 pt -9.72122 -10.58855 -7.03775 -0.003139 0.894234
5530
27 pt -7.84570 -10.70875 -9.48617 -0.002636 0.882573
5531
28 pt -14.24333 -13.62735 -8.86931 -0.001961 0.686035
5532
29 pt -14.63664 -13.92469 -7.04504 -0.002041 0.688614
5533
30 pt -12.50957 -12.89284 -9.02938 -0.002149 0.732256
5534
31 pt 4.17236 -20.91808 -8.89512 -0.000398 0.610425
5535
32 pt 5.42299 -22.28335 -8.51689 -0.000307 0.579034
5536
33 pt 3.29184 -21.30219 -10.52246 -0.000424 0.593602
5537
34 pt 4.77666 -17.49379 -15.08387 -0.000241 0.617175
5538
35 pt 6.09923 -17.11459 -13.78845 -0.000158 0.633685
5539
36 pt 4.17904 -19.27408 -14.87300 -0.000293 0.588781
5540
37 pt -4.46367 -10.02339 -10.08089 -0.002378 0.951349
5541
38 pt -3.35374 -11.34455 -10.85140 -0.001797 0.883454
5542
39 pt -3.47826 -9.03696 -8.80535 -0.002794 1.057389
5543
40 pt -1.01915 -20.36333 -12.13301 -0.000690 0.605328
5544
41 pt -1.27340 -21.50243 -13.61924 -0.000611 0.569273
5545
42 pt -1.11262 -21.37482 -10.53952 -0.000705 0.598158
5546
43 pt -0.08715 -17.77606 -20.87778 -0.000390 0.548328
5547
44 pt -0.21104 -18.93210 -19.38805 -0.000430 0.550313
5548
45 pt 0.74838 -18.68106 -22.31094 -0.000310 0.518741
5549
46 pt 4.93314 -8.49329 -13.92388 0.000121 0.863023
5550
47 pt 3.82290 -9.85485 -14.62000 -0.000160 0.814447
5551
48 pt 4.25571 -6.80447 -14.43384 0.000169 0.905826
5552
49 pt 7.03822 -16.37428 -19.51719 -0.000029 0.565967
5553
50 pt 6.72082 -17.79075 -20.72712 -0.000064 0.533573
5554
51 pt 6.03644 -16.65550 -17.93972 -0.000104 0.587924
5555
52 pt -4.71593 -16.93542 -12.62987 -0.001106 0.667935
5556
53 pt -3.37894 -18.26962 -12.57116 -0.000930 0.642597
5557
54 pt -5.96767 -17.23525 -11.24629 -0.001250 0.671435
5558
55 pt -4.53578 -11.35453 -20.77149 -0.000727 0.637967
5559
56 pt -4.98153 -12.25793 -19.17266 -0.000856 0.653172
5560
57 pt -3.82525 -12.58688 -22.01547 -0.000589 0.599242
5561
58 pt -0.95776 -13.55464 -11.75498 -0.001083 0.789887
5562
59 pt 0.47151 -14.29958 -10.76843 -0.000913 0.783134
5563
60 pt -2.27348 -14.87725 -12.05610 -0.001116 0.740739
5564
61 pt 2.07893 -12.46034 -15.73872 -0.000434 0.728698
5565
62 pt 2.94442 -14.11607 -16.02249 -0.000344 0.681107
5566
63 pt 0.77919 -12.65242 -14.38047 -0.000673 0.758435
5567
64 pt -6.00154 -13.76487 -16.51291 -0.001083 0.669739
5568
65 pt -7.05932 -12.50394 -15.58434 -0.001325 0.706366
5569
66 pt -5.38350 -15.08092 -15.30580 -0.001072 0.666626
5570
67 pt 7.22251 -11.46512 -21.36664 0.000126 0.604133
5571
68 pt 7.28986 -13.27497 -20.82723 0.000070 0.588659
5572
69 pt 5.42113 -10.94074 -21.59271 0.000031 0.617986
5573
70 pt 3.25647 -15.52294 -9.20442 -0.000556 0.755412
5574
71 pt 3.17873 -17.38271 -8.87843 -0.000544 0.703402
5575
72 pt 4.99113 -15.05733 -9.79199 -0.000304 0.748214
5576
73 pt 0.15300 -9.35987 -19.53027 -0.000427 0.707781
5577
74 pt -1.61597 -9.88573 -19.93682 -0.000579 0.688156
5578
75 pt 0.85424 -10.48958 -18.18749 -0.000437 0.718856
5579
76 pt -0.87107 -7.57185 -7.14328 -0.002829 1.252143
5580
77 pt 0.40400 -6.36167 -7.83664 -0.002075 1.316193
5581
78 pt 0.00403 -9.13609 -6.54459 -0.002130 1.148174
5582
79 pt 8.90603 -16.16124 -12.07932 0.000077 0.651225
5583
80 pt 10.06345 -16.80113 -13.42913 0.000125 0.611731
5584
81 pt 9.41688 -16.89020 -10.41238 0.000082 0.648346
5585
82 pt 15.56931 -12.16173 -16.15774 0.000565 0.589069
5586
83 pt 13.87597 -11.50904 -15.63078 0.000583 0.627411
5587
84 pt 15.38861 -13.18072 -17.73890 0.000459 0.560309
5588
85 pt 10.46904 -9.04921 -18.18005 0.000523 0.666630
5589
86 pt 10.20630 -9.86870 -16.49765 0.000510 0.690363
5590
87 pt 9.37500 -9.89185 -19.47005 0.000361 0.642014
5591
88 pt 11.63256 -16.92690 -16.83805 0.000180 0.558469
5592
89 pt 12.95383 -16.38644 -18.07628 0.000238 0.541414
5593
90 pt 9.94403 -16.94836 -17.68627 0.000100 0.561875
5594
91 pt 9.45733 -11.17968 -13.70330 0.000435 0.729975
5595
92 pt 7.78452 -10.30612 -13.60496 0.000357 0.778662
5596
93 pt 9.29333 -12.93519 -13.02334 0.000290 0.704668
5597
94 pt 14.57351 -7.01191 -9.89823 0.001444 0.780252
5598
95 pt 13.92514 -8.75872 -9.58309 0.001180 0.765958
5599
96 pt 13.16651 -5.92158 -10.53275 0.001611 0.832268
5600
97 pt 14.52073 -14.46193 -8.29747 0.000556 0.649005
5601
98 pt 14.24147 -13.15413 -6.96228 0.000693 0.690909
5602
99 pt 13.17916 -15.78700 -8.17317 0.000395 0.644046
5603
100 pt 15.52348 -19.18551 -13.76149 0.000254 0.521579
5604
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6389
886 pt -12.00021 -1.54854 11.49486 -0.003047 0.901964
6390
887 pt -10.32772 -1.52533 10.61549 -0.003622 0.996679
6391
888 pt -11.89258 -2.65038 13.02634 -0.002513 0.836547
6392
889 pt -9.44113 -1.08731 19.32084 -0.001211 0.703446
6393
890 pt -9.11077 -2.31294 20.72076 -0.001037 0.662262
6394
891 pt -8.28777 0.39907 19.49828 -0.001102 0.719925
6395
892 pt -18.77412 7.27244 12.60862 -0.001644 0.693389
6396
893 pt -17.42928 6.60547 13.75649 -0.001637 0.705963
6397
894 pt -18.91657 6.15792 11.08921 -0.001918 0.721976
6398
895 pt -12.53798 3.70249 11.02414 -0.002986 0.940065
6399
896 pt -12.15385 1.91861 11.51534 -0.003011 0.930899
6400
897 pt -13.21793 3.73907 9.26136 -0.003531 0.979997
6401
898 pt 5.45115 -4.11503 16.61275 0.000221 0.790724
6402
899 pt 4.26702 -4.96270 17.81707 -0.000011 0.750468
6403
900 pt 4.50981 -2.82030 15.60846 0.000232 0.859938
6404
901 pt 0.10409 2.35483 19.91382 -0.000125 0.759710
6405
902 pt -0.78443 3.53731 21.08997 -0.000151 0.721039
6406
903 pt -0.44436 0.58158 20.26854 -0.000279 0.741421
6407
904 pt -7.25769 -1.01792 9.68711 -0.004518 1.186670
6408
905 pt -7.36192 0.34402 8.38123 -0.005877 1.324450
6409
906 pt -6.38326 -0.35238 11.22447 -0.003433 1.128378
6410
907 pt -3.60303 -3.69805 15.84666 -0.001315 0.855667
6411
908 pt -4.30929 -2.14053 15.04268 -0.001583 0.912388
6412
909 pt -2.90856 -3.26892 17.55095 -0.000953 0.799482
6413
910 pt -5.16822 0.93584 13.95799 -0.001917 1.001761
6414
911 pt -6.27962 2.26872 14.70584 -0.001758 0.948881
6415
912 pt -3.36800 1.50709 14.02089 -0.001435 1.030359
6416
913 pt -5.45419 -5.22758 7.37469 -0.004869 1.216471
6417
914 pt -6.16251 -3.72513 8.27580 -0.004945 1.219497
6418
915 pt -4.07589 -4.67141 6.20762 -0.005875 1.383438
6419
916 pt -1.29326 -2.63744 20.40034 -0.000495 0.714374
6420
917 pt 0.00075 -3.99019 20.14215 -0.000414 0.709109
6421
918 pt -2.05263 -2.81105 22.12205 -0.000474 0.662980
6422
919 pt 3.32394 6.59266 15.37576 0.001025 0.931089
6423
920 pt 2.22604 7.99704 16.00295 0.000809 0.895062
6424
921 pt 2.28477 5.02981 15.15511 0.000696 0.965930
6425
922 pt 3.11322 -0.68140 13.59847 0.000295 1.015894
6426
923 pt 1.91026 0.64293 14.20683 0.000104 1.013264
6427
924 pt 2.53741 -1.33427 11.92119 0.000076 1.120657
6428
925 pt 1.77229 -1.95877 8.96306 -0.000527 1.360920
6429
926 pt 2.51962 -3.14045 7.69176 -0.000353 1.387394
6430
927 pt 1.02324 -0.46825 8.07516 -0.000834 1.569823
6431
928 pt -5.02902 6.57723 8.59095 -0.003059 1.439460
6432
929 pt -5.85160 4.98088 8.00265 -0.004991 1.504365
6433
930 pt -5.90138 8.06107 7.81103 -0.002967 1.409860
6434
931 pt 5.15097 3.62175 19.56523 0.000556 0.746637
6435
932 pt 3.39601 2.93911 19.72395 0.000319 0.754681
6436
933 pt 5.16425 5.04530 18.32250 0.000759 0.788636
6437
934 pt -0.39771 3.00873 14.94090 -0.000262 0.996177
6438
935 pt -1.45900 4.50417 14.48441 -0.000392 1.022438
6439
936 pt -0.36954 2.80484 16.81938 -0.000222 0.891721
6440
937 pt -6.64425 3.06740 20.98054 -0.000732 0.698460
6441
938 pt -8.05623 3.05400 22.23640 -0.000716 0.652722
6442
939 pt -5.08996 3.77880 21.78624 -0.000523 0.685815
6443
940 pt -3.54158 6.82065 13.62283 -0.000727 1.040150
6444
941 pt -4.02154 6.90553 11.79704 -0.001165 1.160864
6445
942 pt -5.07584 6.45005 14.66196 -0.001021 0.960613
6446
943 pt 15.28954 2.36985 10.19334 0.002321 0.822746
6447
944 pt 14.41916 3.27122 11.60792 0.002192 0.816557
6448
945 pt 15.82135 0.65151 10.77261 0.001973 0.784260
6449
946 pt 13.60356 5.48760 20.47039 0.000941 0.619181
6450
947 pt 15.05713 4.42864 21.05075 0.000872 0.590800
6451
948 pt 14.20978 6.75061 19.20218 0.001096 0.633289
6452
949 pt 17.83245 -4.42490 7.54906 0.001590 0.732950
6453
950 pt 17.61320 -3.43548 9.14407 0.001574 0.727631
6454
951 pt 16.41985 -5.66853 7.37881 0.001515 0.757968
6455
952 pt 20.63972 -5.69244 17.81690 0.000696 0.535625
6456
953 pt 22.06785 -6.15055 18.96654 0.000622 0.503868
6457
954 pt 19.21926 -6.91544 18.05699 0.000636 0.543152
6458
955 pt 9.03176 -5.69477 9.46747 0.001132 0.938902
6459
956 pt 8.50798 -6.82408 10.88921 0.000700 0.874101
6460
957 pt 8.73232 -3.89243 9.95015 0.001443 0.983516
6461
958 pt 8.08022 -1.06663 11.74698 0.001634 0.990137
6462
959 pt 9.12326 -1.17998 13.31870 0.001362 0.888874
6463
960 pt 6.27345 -0.76191 12.20938 0.001303 1.026958
6464
961 pt 7.59027 6.14260 8.18668 0.005232 1.275190
6465
962 pt 5.89005 6.69736 8.79706 0.004805 1.315311
6466
963 pt 8.92505 6.80632 9.34810 0.004059 1.110642
6467
964 pt 16.80376 -2.32912 12.31045 0.001388 0.704930
6468
965 pt 15.60889 -3.45022 13.25197 0.001212 0.704284
6469
966 pt 18.35500 -2.04461 13.35150 0.001242 0.654871
6470
967 pt 10.05784 -1.84145 16.49902 0.000882 0.753007
6471
968 pt 10.18836 -0.51534 17.83896 0.000851 0.722521
6472
969 pt 8.44495 -2.80179 16.71673 0.000657 0.763473
6473
970 pt 9.02814 1.27670 7.27226 0.004429 1.240826
6474
971 pt 8.88815 0.32546 8.89909 0.003114 1.133700
6475
972 pt 8.66400 3.10572 7.57748 0.005001 1.268475
6476
973 pt 10.01207 1.83638 20.06946 0.000762 0.674879
6477
974 pt 8.23302 2.46527 19.96683 0.000707 0.700543
6478
975 pt 11.18351 3.29650 20.32801 0.000844 0.655419
6479
976 pt 13.02417 4.68103 14.39936 0.001774 0.776940
6480
977 pt 14.17956 5.93934 15.20731 0.001625 0.725343
6481
978 pt 12.54695 3.35995 15.66351 0.001478 0.753138
6482
979 pt 20.48377 -0.73546 19.46276 0.000799 0.538582
6483
980 pt 21.58447 -0.96895 20.98099 0.000699 0.506770
6484
981 pt 20.28909 -2.38668 18.56463 0.000795 0.547022
6485
982 pt 13.50885 -5.46811 15.27662 0.000825 0.683590
6486
983 pt 13.04466 -6.89550 16.42472 0.000622 0.652110
6487
984 pt 12.36489 -3.99947 15.60149 0.000888 0.713295
6488
985 pt -8.55976 13.14481 11.60943 -0.000875 0.897717
6489
986 pt -9.33514 11.43106 11.42804 -0.001330 0.929803
6490
987 pt -8.19325 13.85593 9.89740 -0.000834 0.946737
6491
988 pt -10.43539 18.37426 18.47158 -0.000259 0.604940
6492
989 pt -10.09193 17.95508 20.28193 -0.000228 0.582429
6493
990 pt -10.76313 16.78285 17.50666 -0.000382 0.640095
6494
991 pt -11.44291 8.86346 17.26625 -0.001038 0.727556
6495
992 pt -12.84566 7.74341 16.67562 -0.001245 0.727256
6496
993 pt -11.11900 8.55420 19.10214 -0.000862 0.685829
6497
994 pt -11.82220 13.92481 15.61234 -0.000741 0.706151
6498
995 pt -11.79541 12.21857 16.42420 -0.000836 0.709827
6499
996 pt -10.65671 13.93414 14.12487 -0.000772 0.761616
6500
997 pt -17.72013 14.22438 6.78913 -0.001452 0.737983
6501
998 pt -19.25306 13.23262 6.30168 -0.001543 0.717571
6502
999 pt -17.17029 13.72298 8.52618 -0.001420 0.736886
6503
1000 pt -16.78844 12.13271 11.60132 -0.001365 0.717213
6504
1001 pt -17.48318 10.39532 11.86564 -0.001512 0.715157
6505
1002 pt -14.97921 12.17825 12.14508 -0.001333 0.748218
6506
1003 pt -11.12398 8.79056 10.23758 -0.002338 0.978522
6507
1004 pt -11.71677 8.82632 8.44359 -0.002841 1.026301
6508
1005 pt -11.29040 7.03710 10.92223 -0.002555 0.971130
6509
1006 pt -21.45679 14.31271 12.50288 -0.000977 0.589546
6510
1007 pt -21.54154 15.99519 13.35913 -0.000824 0.564566
6511
1008 pt -19.64984 13.79729 12.30202 -0.001070 0.628456
6512
1009 pt -16.10633 17.16415 16.42899 -0.000601 0.590762
6513
1010 pt -14.88177 15.81375 15.93106 -0.000684 0.630033
6514
1011 pt -15.33966 18.86107 16.10689 -0.000494 0.584956
6515
1012 pt -7.99355 20.83351 10.28599 -0.000007 0.727876
6516
1013 pt -9.74673 20.75069 9.58558 -0.000193 0.719797
6517
1014 pt -6.77769 21.23807 8.89708 0.000172 0.753377
6518
1015 pt -0.48096 9.94792 16.49141 0.000375 0.855192
6519
1016 pt -1.63715 8.87621 15.44943 0.000112 0.918672
6520
1017 pt -1.23474 11.66782 16.70313 0.000331 0.817724
6521
1018 pt 3.68073 8.66125 10.59626 0.002893 1.192498
6522
1019 pt 3.34555 7.55119 12.08840 0.002031 1.118632
6523
1020 pt 4.73090 10.13819 11.13185 0.002743 1.079515
6524
1021 pt -1.30133 18.55492 10.05201 0.000991 0.856111
6525
1022 pt -1.82918 17.95007 8.34128 0.001097 0.927468
6526
1023 pt -2.56977 17.99795 11.33727 0.000659 0.835327
6527
1024 pt -2.85348 14.51689 16.98705 0.000218 0.752513
6528
1025 pt -3.94519 15.24942 15.62962 0.000147 0.773619
6529
1026 pt -3.85796 14.34022 18.57792 0.000062 0.705801
6530
1027 pt -3.24105 20.38192 17.67302 0.000292 0.631629
6531
1028 pt -3.66431 19.21288 16.24991 0.000284 0.679155
6532
1029 pt -4.67239 21.58459 17.94859 0.000198 0.603141
6533
1030 pt -5.50452 17.17532 13.19699 0.000079 0.786218
6534
1031 pt -6.44575 15.59294 12.77130 -0.000174 0.829610
6535
1032 pt -6.37051 18.65681 12.40559 0.000054 0.759346
6536
1033 pt -0.02940 6.98843 7.01504 0.002832 1.806942
6537
1034 pt 1.14891 7.71725 8.30014 0.003240 1.535252
6538
1035 pt -1.77530 6.90800 7.73368 -0.000188 1.672653
6539
1036 pt 6.77363 11.90334 13.32147 0.002023 0.881332
6540
1037 pt 5.80172 11.93368 14.94182 0.001556 0.835852
6541
1038 pt 7.65523 13.55778 13.08344 0.001995 0.835821
6542
1039 pt 5.41853 14.45453 19.72900 0.000811 0.660614
6543
1040 pt 4.29088 15.23998 18.43187 0.000854 0.688586
6544
1041 pt 7.21714 14.89356 19.35044 0.000932 0.650428
6545
1042 pt 2.49850 10.30865 20.89700 0.000469 0.689872
6546
1043 pt 3.64088 11.79062 20.63277 0.000609 0.678215
6547
1044 pt 1.29428 10.17384 19.44691 0.000440 0.739030
6548
1045 pt 2.09371 16.12600 16.25693 0.000873 0.741944
6549
1046 pt 2.10748 16.98538 14.57398 0.001038 0.769940
6550
1047 pt 0.33338 15.57742 16.67088 0.000647 0.745854
6551
1048 pt 14.28633 10.91695 9.52734 0.002711 0.816614
6552
1049 pt 13.02180 9.86394 10.45642 0.002749 0.849690
6553
1050 pt 16.02887 10.46101 10.09893 0.002363 0.758864
6554
1051 pt 14.29889 13.47433 16.69262 0.001350 0.636235
6555
1052 pt 15.92982 13.60115 17.63867 0.001209 0.596106
6556
1053 pt 14.47159 14.33509 15.01920 0.001516 0.654063
6557
1054 pt 17.03841 19.26056 9.68544 0.001625 0.619081
6558
1055 pt 18.47325 20.07919 10.60312 0.001418 0.577601
6559
1056 pt 15.79856 20.58105 9.14678 0.001622 0.623827
6560
1057 pt 9.26621 16.36007 13.02087 0.001774 0.748423
6561
1058 pt 11.08685 16.06847 12.60696 0.001854 0.732721
6562
1059 pt 8.92705 18.21738 13.10116 0.001586 0.712910
6563
1060 pt 10.65504 21.05002 19.19417 0.000868 0.551954
6564
1061 pt 10.86232 21.99385 17.57020 0.000944 0.560290
6565
1062 pt 8.92991 21.37181 19.89520 0.000785 0.550364
6566
1063 pt 15.69520 8.39275 16.71257 0.001381 0.652061
6567
1064 pt 17.58460 8.39919 16.74756 0.001308 0.618987
6568
1065 pt 15.05866 10.17176 16.68110 0.001399 0.652723
6569
1066 pt 19.27244 9.98683 10.68193 0.001886 0.670428
6570
1067 pt 19.84426 11.65582 11.35911 0.001706 0.635954
6571
1068 pt 20.29169 8.60385 11.46906 0.001711 0.645434
6572
1069 pt 14.24259 15.54852 11.91663 0.001869 0.695979
6573
1070 pt 14.42128 13.96237 10.90507 0.002149 0.735675
6574
1071 pt 15.37541 16.88251 11.20371 0.001779 0.665106
6575
1072 pt 18.29873 13.25479 20.01464 0.000969 0.535760
6576
1073 pt 18.56623 15.10155 20.31293 0.000920 0.518103
6577
1074 pt 19.95323 12.34986 20.13631 0.000937 0.520384
6578
1075 pt 20.88558 8.61600 16.89172 0.001159 0.563660
6579
1076 pt 21.94355 7.99195 15.45563 0.001222 0.566875
6580
1077 pt 21.96532 9.60164 18.08911 0.001031 0.530834
6581
1078 pt 10.59272 15.77113 19.59746 0.000987 0.605106
6582
1079 pt 10.73962 17.64401 19.39297 0.000959 0.586955
6583
1080 pt 11.68371 14.90919 18.31767 0.001146 0.626178
6584
1081 pt 10.49782 8.34353 11.76116 0.002702 0.911390
6585
1082 pt 11.20179 7.01541 12.90640 0.002300 0.862301
6586
1083 pt 9.29399 9.43500 12.72581 0.002397 0.893577
6589
NWChem Electrostatic Potential Fit Module
6590
-----------------------------------------
6595
Number of atoms is 4
6596
Number of basis functions is 1
6601
Maximum number of grid points is 1083
6602
Number of grid points is 1083
6604
Grid read from /home/d3p975/codes/nwchem-svn/nwchem/QA/tests/tce_qmmm_ccsd_opt/perm/fmd.grid
6613
Atom Coordinates Charge
6618
1 O -0.086 0.163 -0.054 -0.585541
6619
2 C 0.023 0.216 -0.059 0.610193
6620
3 H 0.093 0.213 0.027 -0.011276
6621
4 H 0.058 0.270 -0.149 -0.013376
6625
Dipole moment 1.319602
6627
Quadrupole moment Qxx -0.308303
6631
RMS deviation kJ/mol 0.019070
6633
RMS deviation % 8.559998
6634
using old esp charges
6635
using old esp charges
6636
------------------------------------------------------------------------
6638
------------------------------------------------------------------------
6639
quantum energy -0.038830732 (-.101950E+03 kjoule/mol)
6640
quantum energy adjusted -0.038830732 (-.101950E+03 kjoule/mol)
6641
classical energy -201.436705721 (-.528872E+06 kjoule/mol)
6642
total qmmm energy -201.475536453 (-.528974E+06 kjoule/mol)
6643
------------------------------------------------------------------------
6645
Total number of active Bq charges 1083
6646
frozen_density,esp T T
6647
disabling frozen_density,esp due to active qm atoms
6653
ao basis = "ao basis"
6660
input vectors = /home/d3p975/codes/nwchem-svn/nwchem/QA/tests/tce_qmmm_ccsd_opt/perm/fmd.movecs
6661
output vectors = /home/d3p975/codes/nwchem-svn/nwchem/QA/tests/tce_qmmm_ccsd_opt/perm/fmd.movecs
6666
Summary of "ao basis" -> "ao basis" (cartesian)
6667
------------------------------------------------------------------------------
6668
Tag Description Shells Functions and Types
6669
---------------- ------------------------------ ------ ---------------------
6670
O cc-pVDZ 6 15 3s2p1d
6671
C cc-pVDZ 6 15 3s2p1d
6676
Forming initial guess at 370.8s
6679
Loading old vectors from job with title :
6683
Nuclear repulsion energy = 31.109883646676813
6684
Bq nuclear interaction energy = 0.10258378557843459
6686
Starting SCF solution at 370.8s
6690
----------------------------------------------
6691
Quadratically convergent ROHF
6693
Convergence threshold : 1.000E-10
6694
Maximum no. of iterations : 200
6695
Final Fock-matrix accuracy: 0.000E+00
6696
----------------------------------------------
6699
#quartets = 1.471E+04 #integrals = 3.749E+05 #direct = 0.0% #cached =100.0%
6702
Integral file = /scratch/fmd.aoints.00
6703
Record size in doubles = 65536 No. of integs per rec = 43688
6704
Max. records in memory = 2 Max. records in file = 225827
6705
No. of bits per label = 8 No. of bits per value = 64
6708
File balance: exchanges= 0 moved= 0 time= 0.0
6710
Nuclear repulsion energy = 31.109883646676813
6711
Bq nuclear interaction energy = 0.10258378557843459
6713
iter energy gnorm gmax time
6714
----- ------------------- --------- --------- --------
6715
1 -113.9149303200 9.14E-03 2.52E-03 331.2
6716
Nuclear repulsion energy = 31.109883646676813
6717
Bq nuclear interaction energy = 0.10258378557843459
6718
2 -113.9149367169 3.93E-05 2.14E-05 331.4
6719
Nuclear repulsion energy = 31.109883646676813
6720
Bq nuclear interaction energy = 0.10258378557843459
6721
3 -113.9149367174 1.89E-09 6.23E-10 331.8
6722
Nuclear repulsion energy = 31.109883646676813
6723
Bq nuclear interaction energy = 0.10258378557843459
6724
4 -113.9149367174 9.51E-12 4.98E-12 331.9
6725
Nuclear repulsion energy = 31.109883646676813
6726
Bq nuclear interaction energy = 0.10258378557843459
6732
Total SCF energy = -113.914936717387
6733
One-electron energy = -217.336882270389
6734
Two-electron energy = 72.209478120747
6735
Nuclear repulsion energy = 31.212467432255
6737
Time for solution = 0.8s
6763
ROHF Final Molecular Orbital Analysis
6764
-------------------------------------
6766
Vector 2 Occ=2.000000E+00 E=-1.134204E+01
6767
MO Center= 2.3E-01, 2.2E+00, -5.9E-01, r^2= 2.7E-02
6768
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
6769
----- ------------ --------------- ----- ------------ ---------------
6772
Vector 3 Occ=2.000000E+00 E=-1.397758E+00
6773
MO Center= -5.8E-01, 1.8E+00, -5.6E-01, r^2= 5.0E-01
6774
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
6775
----- ------------ --------------- ----- ------------ ---------------
6776
2 0.408986 1 O s 3 0.387237 1 O s
6777
17 0.207929 2 C s 19 -0.164600 2 C px
6779
Vector 4 Occ=2.000000E+00 E=-8.539201E-01
6780
MO Center= 1.8E-01, 2.1E+00, -5.8E-01, r^2= 1.4E+00
6781
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
6782
----- ------------ --------------- ----- ------------ ---------------
6783
17 0.354779 2 C s 3 -0.261105 1 O s
6784
18 0.233896 2 C s 31 0.228366 3 H s
6785
36 0.225549 4 H s 2 -0.192354 1 O s
6788
Vector 5 Occ=2.000000E+00 E=-6.777509E-01
6789
MO Center= -2.3E-02, 2.0E+00, -5.8E-01, r^2= 1.3E+00
6790
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
6791
----- ------------ --------------- ----- ------------ ---------------
6792
21 0.368378 2 C pz 6 0.334878 1 O pz
6793
36 -0.235328 4 H s 31 0.232541 3 H s
6796
Vector 6 Occ=2.000000E+00 E=-6.511798E-01
6797
MO Center= -5.0E-01, 1.8E+00, -5.5E-01, r^2= 1.3E+00
6798
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
6799
----- ------------ --------------- ----- ------------ ---------------
6800
4 0.437101 1 O px 19 -0.350646 2 C px
6801
7 0.289630 1 O px 3 -0.255258 1 O s
6802
5 0.203693 1 O py 20 -0.171269 2 C py
6804
Vector 7 Occ=2.000000E+00 E=-5.278704E-01
6805
MO Center= -5.5E-01, 1.8E+00, -5.6E-01, r^2= 9.2E-01
6806
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
6807
----- ------------ --------------- ----- ------------ ---------------
6808
5 0.431330 1 O py 8 0.312463 1 O py
6809
20 0.263091 2 C py 4 -0.192677 1 O px
6810
6 0.182940 1 O pz 23 0.150092 2 C py
6812
Vector 8 Occ=2.000000E+00 E=-4.359251E-01
6813
MO Center= -2.6E-01, 1.9E+00, -5.7E-01, r^2= 1.6E+00
6814
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
6815
----- ------------ --------------- ----- ------------ ---------------
6816
6 0.485419 1 O pz 9 0.407752 1 O pz
6817
31 -0.256326 3 H s 36 0.255657 4 H s
6818
21 -0.216671 2 C pz 5 -0.164240 1 O py
6820
Vector 9 Occ=0.000000E+00 E= 1.477626E-01
6821
MO Center= 4.2E-02, 2.1E+00, -5.8E-01, r^2= 1.7E+00
6822
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
6823
----- ------------ --------------- ----- ------------ ---------------
6824
23 0.585243 2 C py 8 -0.418357 1 O py
6825
20 0.369674 2 C py 5 -0.300385 1 O py
6826
22 -0.277206 2 C px 24 0.251529 2 C pz
6827
7 0.196607 1 O px 9 -0.176845 1 O pz
6828
19 -0.173782 2 C px 21 0.157314 2 C pz
6830
Vector 10 Occ=0.000000E+00 E= 2.236087E-01
6831
MO Center= 9.4E-01, 2.4E+00, -4.4E-01, r^2= 4.0E+00
6832
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
6833
----- ------------ --------------- ----- ------------ ---------------
6834
18 1.914488 2 C s 32 -1.502811 3 H s
6835
37 -1.238880 4 H s 22 0.606419 2 C px
6836
23 0.259655 2 C py 19 0.166045 2 C px
6838
Vector 11 Occ=0.000000E+00 E= 2.914213E-01
6839
MO Center= 9.8E-01, 2.6E+00, -7.9E-01, r^2= 4.1E+00
6840
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
6841
----- ------------ --------------- ----- ------------ ---------------
6842
37 1.932823 4 H s 32 -1.750823 3 H s
6843
24 1.294120 2 C pz 23 -0.450385 2 C py
6844
21 0.340480 2 C pz 9 -0.274281 1 O pz
6847
Vector 12 Occ=0.000000E+00 E= 3.721802E-01
6848
MO Center= 1.1E-01, 2.1E+00, -5.9E-01, r^2= 3.0E+00
6849
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
6850
----- ------------ --------------- ----- ------------ ---------------
6851
3 1.819914 1 O s 22 1.557673 2 C px
6852
18 -1.391557 2 C s 23 0.741242 2 C py
6853
7 0.620450 1 O px 8 0.297120 1 O py
6855
Vector 13 Occ=0.000000E+00 E= 6.838405E-01
6856
MO Center= 6.7E-01, 2.5E+00, -5.6E-01, r^2= 1.7E+00
6857
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
6858
----- ------------ --------------- ----- ------------ ---------------
6859
18 1.054171 2 C s 31 -0.763854 3 H s
6860
36 -0.747288 4 H s 30 -0.297129 2 C dzz
6861
22 0.286817 2 C px 29 0.282953 2 C dyz
6862
23 0.282505 2 C py 17 -0.216164 2 C s
6863
16 -0.196781 2 C s 32 0.195713 3 H s
6865
Vector 14 Occ=0.000000E+00 E= 6.958671E-01
6866
MO Center= 3.1E-01, 2.1E+00, -6.3E-01, r^2= 1.9E+00
6867
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
6868
----- ------------ --------------- ----- ------------ ---------------
6869
23 0.890760 2 C py 20 -0.864994 2 C py
6870
22 -0.459311 2 C px 19 0.400794 2 C px
6871
21 -0.361584 2 C pz 24 0.358495 2 C pz
6873
Vector 15 Occ=0.000000E+00 E= 7.568790E-01
6874
MO Center= 5.0E-02, 2.1E+00, -5.9E-01, r^2= 2.3E+00
6875
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
6876
----- ------------ --------------- ----- ------------ ---------------
6877
24 1.946236 2 C pz 36 0.701648 4 H s
6878
31 -0.689617 3 H s 32 -0.638233 3 H s
6879
37 0.636127 4 H s 23 -0.626501 2 C py
6880
22 0.380496 2 C px 9 -0.326268 1 O pz
6881
6 -0.297172 1 O pz 21 -0.283640 2 C pz
6883
Vector 16 Occ=0.000000E+00 E= 8.357150E-01
6884
MO Center= 5.5E-01, 2.3E+00, -5.8E-01, r^2= 2.5E+00
6885
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
6886
----- ------------ --------------- ----- ------------ ---------------
6887
32 1.494911 3 H s 24 -1.488565 2 C pz
6888
37 -1.446014 4 H s 21 0.760906 2 C pz
6889
27 -0.525599 2 C dxz 23 0.476130 2 C py
6890
36 0.370020 4 H s 31 -0.357255 3 H s
6891
22 -0.323078 2 C px 29 -0.267225 2 C dyz
6893
Vector 17 Occ=0.000000E+00 E= 8.969378E-01
6894
MO Center= -1.1E-02, 2.0E+00, -5.8E-01, r^2= 1.5E+00
6895
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
6896
----- ------------ --------------- ----- ------------ ---------------
6897
18 0.994391 2 C s 22 0.958334 2 C px
6898
19 -0.906570 2 C px 37 -0.555219 4 H s
6899
32 -0.492525 3 H s 23 0.481103 2 C py
6900
20 -0.446598 2 C py 7 -0.430704 1 O px
6901
26 -0.307398 2 C dxy 4 -0.260987 1 O px
6903
Vector 18 Occ=0.000000E+00 E= 9.604814E-01
6904
MO Center= 5.6E-01, 2.3E+00, -6.3E-01, r^2= 2.7E+00
6905
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
6906
----- ------------ --------------- ----- ------------ ---------------
6907
18 4.055520 2 C s 17 -1.678569 2 C s
6908
37 -1.305963 4 H s 32 -1.247732 3 H s
6909
16 -0.786320 2 C s 3 -0.465000 1 O s
6910
22 0.459759 2 C px 28 -0.289245 2 C dyy
6911
30 -0.244483 2 C dzz 23 0.228985 2 C py
6916
x = -0.59621344 y = 3.58568206 z = -1.07096838
6918
moments of inertia (a.u.)
6920
15.120966570760 -18.021880364939 0.491013754678
6921
-18.021880364939 43.930668873469 2.596450779688
6922
0.491013754678 2.596450779688 47.760817304737
6924
Mulliken analysis of the total density
6925
--------------------------------------
6927
Atom Charge Shell Charges
6928
----------- ------ -------------------------------------------------------
6929
1 O 8 8.46 2.00 0.83 0.92 2.79 1.89 0.02
6930
2 C 6 5.69 2.00 0.70 0.44 1.83 0.59 0.12
6931
3 H 1 0.93 0.76 0.15 0.03
6932
4 H 1 0.92 0.75 0.14 0.03
6934
Multipole analysis of the density wrt the origin
6935
------------------------------------------------
6937
L x y z total open nuclear
6938
- - - - ----- ---- -------
6939
0 0 0 0 0.000000 0.000000 16.000000
6941
1 1 0 0 1.392495 0.000000 -7.537818
6942
1 0 1 0 0.649946 0.000000 58.341572
6943
1 0 0 1 -0.075097 0.000000 -17.218598
6945
2 2 0 0 -10.025900 0.000000 26.604643
6946
2 1 1 0 4.643114 0.000000 -16.810675
6947
2 1 0 1 -1.459157 0.000000 8.258044
6948
2 0 2 0 -3.698586 0.000000 218.657657
6949
2 0 1 1 -1.059688 0.000000 -65.055663
6950
2 0 0 2 -8.051233 0.000000 24.104725
6952
Nuclear repulsion energy = 31.109883646676813
6953
Bq nuclear interaction energy = 0.10258378557843459
6955
Parallel integral file used 27 records with 0 large values
6957
NWChem Extensible Many-Electron Theory Module
6958
---------------------------------------------
6960
======================================================
6961
This portion of the program was automatically
6962
generated by a Tensor Contraction Engine (TCE).
6963
The development of this portion of the program
6964
and TCE was supported by US Department of Energy,
6965
Office of Science, Office of Basic Energy Science.
6966
TCE is a product of Battelle and PNNL.
6967
Please cite: S.Hirata, J.Phys.Chem.A 107, 9887 (2003).
6968
======================================================
6972
Number of processors : 27
6973
Wavefunction type : Restricted Hartree-Fock
6974
No. of electrons : 16
6977
No. of orbitals : 80
6980
Alpha frozen cores : 0
6981
Beta frozen cores : 0
6982
Alpha frozen virtuals : 0
6983
Beta frozen virtuals : 0
6984
Spin multiplicity : singlet
6985
Number of AO functions : 40
6986
Number of AO shells : 18
6987
Use of symmetry is : off
6988
Symmetry adaption is : off
6989
Schwarz screening : 0.00E+00
6991
Correlation Information
6992
-----------------------
6993
Calculation type : Coupled-cluster singles & doubles
6994
Perturbative correction : none
6995
Max iterations : 200
6996
Residual threshold : 0.10E-05
6997
T(0) DIIS level shift : 0.00E+00
6998
L(0) DIIS level shift : 0.00E+00
6999
T(1) DIIS level shift : 0.00E+00
7000
L(1) DIIS level shift : 0.00E+00
7001
T(R) DIIS level shift : 0.00E+00
7002
T(I) DIIS level shift : 0.00E+00
7003
CC-T/L Amplitude update : 5-th order DIIS
7004
I/O scheme : Global Array Library
7008
Available GA space size is 2654059007 doubles
7009
Available MA space size is 49130121 doubles
7011
Maximum block size supplied by input
7012
Maximum block size 12 doubles
7016
Block Spin Irrep Size Offset Alpha
7017
-------------------------------------------------
7018
1 alpha a 8 doubles 0 1
7019
2 beta a 8 doubles 8 1
7020
3 alpha a 10 doubles 16 3
7021
4 alpha a 11 doubles 26 4
7022
5 alpha a 11 doubles 37 5
7023
6 beta a 10 doubles 48 3
7024
7 beta a 11 doubles 58 4
7025
8 beta a 11 doubles 69 5
7027
Global array virtual files algorithm will be used
7029
Parallel file system coherency ......... OK
7031
#quartets = 1.471E+04 #integrals = 3.749E+05 #direct = 0.0% #cached =100.0%
7034
Integral file = /scratch/fmd.aoints.00
7035
Record size in doubles = 65536 No. of integs per rec = 43688
7036
Max. records in memory = 2 Max. records in file = 225827
7037
No. of bits per label = 8 No. of bits per value = 64
7040
File balance: exchanges= 0 moved= 0 time= 0.0
7043
Fock matrix recomputed
7044
1-e file size = 1600
7045
1-e file name = /scratch/fmd.f1
7046
1-e file handle = -993
7047
Cpu & wall time / sec 0.1 0.2
7049
2-e (intermediate) file size = 5769600
7050
2-e (intermediate) file name = /scratch/fmd.v2i
7051
Cpu & wall time / sec 0.1 0.1
7053
2-e file size = 3566009
7054
2-e file name = /scratch/fmd.v2
7055
2-e file handle = -991
7056
Cpu & wall time / sec 0.1 0.1
7059
t1 file name = /scratch/fmd.t1
7060
t1 file handle = -992
7061
Cpu & wall time / sec 0.0
7065
t2 file size = 109248
7066
t2 file name = /scratch/fmd.t2
7067
t2 file handle = -989
7068
Cpu & wall time / sec 0.0
7071
-----------------------------------------------------------------
7072
Iter Residuum Correlation Cpu Wall V2*C2
7073
-----------------------------------------------------------------
7074
1 0.1515204182471 -0.3224719812758 0.2 0.2 0.0
7075
2 0.0550504710531 -0.3254491295673 0.2 0.2 0.0
7076
3 0.0173009063481 -0.3358428272452 0.2 0.2 0.0
7077
4 0.0104558298587 -0.3363920664449 0.2 0.2 0.0
7078
5 0.0044382568216 -0.3376115751378 0.2 0.2 0.0
7079
MICROCYCLE DIIS UPDATE: 5 5
7080
6 0.0016582206215 -0.3380348610262 0.2 0.2 0.0
7081
7 0.0006975444579 -0.3381434614141 0.2 0.2 0.0
7082
8 0.0003909501848 -0.3381470700956 0.2 0.2 0.0
7083
9 0.0002177709763 -0.3381513617290 0.2 0.2 0.0
7084
10 0.0001302439049 -0.3381563819740 0.2 0.2 0.0
7085
MICROCYCLE DIIS UPDATE: 10 5
7086
11 0.0000235337607 -0.3381628302976 0.2 0.2 0.0
7087
12 0.0000131799997 -0.3381633772684 0.2 0.2 0.0
7088
13 0.0000090180844 -0.3381643633279 0.2 0.2 0.0
7089
14 0.0000068340643 -0.3381644152627 0.2 0.2 0.0
7090
15 0.0000052511400 -0.3381645325942 0.2 0.2 0.0
7091
MICROCYCLE DIIS UPDATE: 15 5
7092
16 0.0000011345663 -0.3381645225247 0.2 0.2 0.0
7093
17 0.0000005825854 -0.3381646109527 0.2 0.2 0.0
7094
-----------------------------------------------------------------
7095
Iterations converged
7096
CCSD correlation energy / hartree = -0.338164610952661
7097
CCSD total energy / hartree = -114.253101328339255
7099
Singles contributions
7101
Doubles contributions
7102
9a (alpha) 9a (beta ) --- 7a (alpha) 7a (beta ) -0.1168148024
7104
CCSD Lambda iterations
7105
--------------------------------------
7106
Iter Residuum Cpu Wall
7107
--------------------------------------
7108
1 1.6761834131163 0.4 0.6
7109
2 0.0291832768612 0.5 0.6
7110
3 0.0031496156416 0.5 0.6
7111
4 0.0003631630738 0.5 0.6
7112
5 0.0001049956904 0.5 0.6
7113
MICROCYCLE DIIS UPDATE: 5 5
7114
6 0.0000235475132 0.5 0.6
7115
7 0.0000045190501 0.5 0.6
7116
8 0.0000014473224 0.5 0.6
7117
9 0.0000004673171 0.4 0.6
7118
--------------------------------------
7119
Iterations converged
7122
--------------------------------------
7123
Iter Residuum Cpu Wall
7124
--------------------------------------
7125
1 0.0234355750826 0.0 0.0
7126
2 0.0076197945497 0.0 0.0
7127
3 0.0030368889403 0.0 0.0
7128
4 0.0027366934751 0.0 0.0
7129
5 0.0017011371099 0.0 0.0
7130
MICROCYCLE DIIS UPDATE: 5 5
7131
6 0.0003151727151 0.0 0.0
7132
7 0.0001700424300 0.0 0.0
7133
8 0.0000798987219 0.0 0.0
7134
9 0.0000677780652 0.0 0.0
7135
10 0.0000357860277 0.0 0.0
7136
MICROCYCLE DIIS UPDATE: 10 5
7137
11 0.0000045311439 0.0 0.0
7138
12 0.0000022523628 0.0 0.0
7139
13 0.0000011304052 0.0 0.0
7140
14 0.0000009466423 0.0 0.0
7141
--------------------------------------
7142
Iterations converged
7144
NWChem Gradients Module
7145
-----------------------
7149
wavefunction = TCE RHF CCSD
7153
ccsd ENERGY GRADIENTS
7155
atom coordinates gradient
7157
1 O -1.626944 3.088007 -1.027358 0.017606 0.004106 0.002368
7158
2 C 0.438352 4.084496 -1.115010 -0.003935 -0.002025 0.000468
7159
3 H 1.756722 4.022448 0.508625 -0.000789 0.000036 -0.000467
7160
4 H 1.090905 5.108098 -2.818304 -0.001233 0.000180 0.000673
7162
----------------------------------------
7163
| Time | 1-e(secs) | 2-e(secs) |
7164
----------------------------------------
7165
| CPU | 0.08 | 0.13 |
7166
----------------------------------------
7167
| WALL | 0.14 | 0.14 |
7168
----------------------------------------
7170
Parallel integral file used 27 records with 0 large values
7172
Bq nuclear interaction energy = 0.10258378557843459
7173
Calculating forces on classical charges
7174
---------------------------------------
7175
Total number of charges 1083
7176
NWChem Property Module
7177
----------------------
7181
---------------------------------------------
7182
Electrostatic potential/diamagnetic shielding
7183
---------------------------------------------
7185
1 a.u. = 9.07618 esu/cm ( or statvolts )
7186
Point X Y Z Total Potential(a.u.) Diamagnetic shielding(a.u.) External Bq potential
7187
1 pt -10.84724 -20.95217 -11.78162 -Infinity 0.557422 -Infinity
7188
2 pt -9.86949 -19.74692 -10.70346 Infinity 0.594202 Infinity
7189
3 pt -12.23974 -21.72307 -10.76293 Infinity 0.541841 Infinity
7190
4 pt -13.12446 -10.66230 -18.89854 -Infinity 0.613841 -Infinity
7191
5 pt -13.17498 -12.55131 -18.91060 Infinity 0.588724 Infinity
7192
6 pt -11.56417 -10.06719 -19.78307 Infinity 0.623468 Infinity
7193
7 pt -16.79702 -8.14743 -16.53408 -Infinity 0.632298 -Infinity
7194
8 pt -17.27891 -9.23449 -15.06537 Infinity 0.632728 Infinity
7195
9 pt -15.30728 -8.90388 -17.41699 Infinity 0.632029 Infinity
7196
10 pt -17.30902 -10.90332 -12.00967 -Infinity 0.648050 -Infinity
7197
11 pt -18.50876 -9.94794 -10.90561 Infinity 0.652557 Infinity
7198
12 pt -16.21988 -12.01833 -10.94123 Infinity 0.661142 Infinity
7199
13 pt -12.84227 -7.70725 -11.71759 -Infinity 0.808794 -Infinity
7200
14 pt -11.59319 -8.74082 -10.74672 Infinity 0.835159 Infinity
7201
15 pt -14.34452 -8.77091 -12.14530 Infinity 0.742048 Infinity
7202
16 pt -16.85213 -17.68016 -11.06734 -Infinity 0.559526 -Infinity
7203
17 pt -15.76940 -16.30364 -10.35744 Infinity 0.599141 Infinity
7204
18 pt -18.60017 -17.53387 -10.36445 Infinity 0.546317 Infinity
7205
19 pt -7.79406 -18.14803 -8.64791 -Infinity 0.662467 -Infinity
7206
20 pt -7.25177 -19.87425 -8.10278 Infinity 0.629486 Infinity
7207
21 pt -7.82010 -16.99320 -7.15233 Infinity 0.705599 Infinity
7208
22 pt -14.30805 -19.61049 -15.39047 -Infinity 0.523799 -Infinity
7209
23 pt -12.76619 -20.03963 -14.38570 Infinity 0.537677 Infinity
7210
24 pt -15.61440 -18.85794 -14.25109 Infinity 0.531945 Infinity
7211
25 pt -9.64837 -10.74060 -8.91990 -Infinity 0.855856 -Infinity
7212
26 pt -9.72126 -10.58871 -7.03770 Infinity 0.894130 Infinity
7213
27 pt -7.84575 -10.70887 -9.48612 Infinity 0.882486 Infinity
7214
28 pt -14.24340 -13.62737 -8.86928 -Infinity 0.685971 -Infinity
7215
29 pt -14.63673 -13.92479 -7.04503 Infinity 0.688546 Infinity
7216
30 pt -12.50961 -12.89291 -9.02931 Infinity 0.732186 Infinity
7217
31 pt 4.17219 -20.91809 -8.89500 -Infinity 0.610422 -Infinity
7218
32 pt 5.42282 -22.28337 -8.51685 Infinity 0.579033 Infinity
7219
33 pt 3.29156 -21.30217 -10.52227 Infinity 0.593598 Infinity
7220
34 pt 4.77649 -17.49360 -15.08387 -Infinity 0.617175 -Infinity
7221
35 pt 6.09914 -17.11445 -13.78852 Infinity 0.633687 Infinity
7222
36 pt 4.17884 -19.27388 -14.87300 Infinity 0.588780 Infinity
7223
37 pt -4.46372 -10.02341 -10.08066 -Infinity 0.951283 -Infinity
7224
38 pt -3.35385 -11.34455 -10.85128 Infinity 0.883405 Infinity
7225
39 pt -3.47823 -9.03701 -8.80517 Infinity 1.057315 Infinity
7226
40 pt -1.01892 -20.36331 -12.13313 -Infinity 0.605311 -Infinity
7227
41 pt -1.27328 -21.50239 -13.61935 Infinity 0.569257 Infinity
7228
42 pt -1.11244 -21.37480 -10.53964 Infinity 0.598142 Infinity
7229
43 pt -0.08697 -17.77593 -20.87785 -Infinity 0.548316 -Infinity
7230
44 pt -0.21096 -18.93191 -19.38809 Infinity 0.550302 Infinity
7231
45 pt 0.74839 -18.68107 -22.31102 Infinity 0.518730 Infinity
7232
46 pt 4.93322 -8.49333 -13.92382 -Infinity 0.863026 -Infinity
7233
47 pt 3.82303 -9.85493 -14.61995 Infinity 0.814441 Infinity
7234
48 pt 4.25576 -6.80454 -14.43382 Infinity 0.905826 Infinity
7235
49 pt 7.03837 -16.37451 -19.51716 -Infinity 0.565962 -Infinity
7236
50 pt 6.72090 -17.79096 -20.72709 Infinity 0.533568 Infinity
7237
51 pt 6.03636 -16.65554 -17.93980 Infinity 0.587920 Infinity
7238
52 pt -4.71577 -16.93545 -12.62987 -Infinity 0.667904 -Infinity
7239
53 pt -3.37874 -18.26961 -12.57121 Infinity 0.642573 Infinity
7240
54 pt -5.96754 -17.23540 -11.24633 Infinity 0.671396 Infinity
7241
55 pt -4.53570 -11.35454 -20.77136 -Infinity 0.637942 -Infinity
7242
56 pt -4.98151 -12.25806 -19.17262 Infinity 0.653140 Infinity
7243
57 pt -3.82520 -12.58683 -22.01544 Infinity 0.599221 Infinity
7244
58 pt -0.95777 -13.55455 -11.75486 -Infinity 0.789864 -Infinity
7245
59 pt 0.47152 -14.29952 -10.76834 Infinity 0.783118 Infinity
7246
60 pt -2.27345 -14.87718 -12.05607 Infinity 0.740712 Infinity
7247
61 pt 2.07912 -12.46054 -15.73854 -Infinity 0.728684 -Infinity
7248
62 pt 2.94466 -14.11629 -16.02209 Infinity 0.681099 Infinity
7249
63 pt 0.77931 -12.65250 -14.38033 Infinity 0.758417 Infinity
7250
64 pt -6.00182 -13.76533 -16.51311 -Infinity 0.669688 -Infinity
7251
65 pt -7.06018 -12.50477 -15.58472 Infinity 0.706288 Infinity
7252
66 pt -5.38351 -15.08116 -15.30590 Infinity 0.666586 Infinity
7253
67 pt 7.22248 -11.46536 -21.36671 -Infinity 0.604130 -Infinity
7254
68 pt 7.28995 -13.27521 -20.82728 Infinity 0.588655 Infinity
7255
69 pt 5.42106 -10.94109 -21.59272 Infinity 0.617978 Infinity
7256
70 pt 3.25640 -15.52298 -9.20432 -Infinity 0.755407 -Infinity
7257
71 pt 3.17871 -17.38276 -8.87833 Infinity 0.703396 Infinity
7258
72 pt 4.99106 -15.05732 -9.79185 Infinity 0.748218 Infinity
7259
73 pt 0.15332 -9.36022 -19.53036 -Infinity 0.707753 -Infinity
7260
74 pt -1.61570 -9.88599 -19.93681 Infinity 0.688129 Infinity
7261
75 pt 0.85456 -10.48993 -18.18756 Infinity 0.718830 Infinity
7262
76 pt -0.87105 -7.57183 -7.14314 -Infinity 1.252091 -Infinity
7263
77 pt 0.40406 -6.36174 -7.83658 Infinity 1.316153 Infinity
7264
78 pt 0.00396 -9.13615 -6.54455 Infinity 1.148136 Infinity
7265
79 pt 8.90597 -16.16123 -12.07944 -Infinity 0.651233 -Infinity
7266
80 pt 10.06342 -16.80112 -13.42923 Infinity 0.611738 Infinity
7267
81 pt 9.41682 -16.89018 -10.41248 Infinity 0.648356 Infinity
7268
82 pt 15.56909 -12.16177 -16.15751 -Infinity 0.589091 -Infinity
7269
83 pt 13.87571 -11.50932 -15.63041 Infinity 0.627434 Infinity
7270
84 pt 15.38843 -13.18070 -17.73871 Infinity 0.560327 Infinity
7271
85 pt 10.46880 -9.04906 -18.18021 -Infinity 0.666645 -Infinity
7272
86 pt 10.20623 -9.86860 -16.49781 Infinity 0.690376 Infinity
7273
87 pt 9.37480 -9.89181 -19.47017 Infinity 0.642022 Infinity
7274
88 pt 11.63258 -16.92699 -16.83791 -Infinity 0.558476 -Infinity
7275
89 pt 12.95387 -16.38650 -18.07611 Infinity 0.541422 Infinity
7276
90 pt 9.94407 -16.94852 -17.68618 Infinity 0.561878 Infinity
7277
91 pt 9.45746 -11.17970 -13.70343 -Infinity 0.729986 -Infinity
7278
92 pt 7.78470 -10.30606 -13.60498 Infinity 0.778673 Infinity
7279
93 pt 9.29342 -12.93519 -13.02344 Infinity 0.704678 Infinity
7280
94 pt 14.57359 -7.01194 -9.89842 -Infinity 0.780291 -Infinity
7281
95 pt 13.92527 -8.75879 -9.58336 Infinity 0.765988 Infinity
7282
96 pt 13.16655 -5.92160 -10.53281 Infinity 0.832314 Infinity
7283
97 pt 14.52054 -14.46178 -8.29743 -Infinity 0.649035 -Infinity
7284
98 pt 14.24132 -13.15401 -6.96221 Infinity 0.690945 Infinity
7285
99 pt 13.17896 -15.78684 -8.17315 Infinity 0.644073 Infinity
7286
100 pt 15.52360 -19.18547 -13.76137 -Infinity 0.521590 -Infinity
7287
101 pt 16.42374 -17.59035 -13.29619 Infinity 0.536671 Infinity
7288
102 pt 14.11826 -18.78999 -14.96123 Infinity 0.529857 Infinity
7289
103 pt 17.80974 -14.69119 -12.22433 -Infinity 0.566417 -Infinity
7290
104 pt 16.67752 -14.52168 -10.72086 Infinity 0.596171 Infinity
7291
105 pt 17.13724 -13.63873 -13.64248 Infinity 0.576637 Infinity
7292
106 pt -17.30071 3.37268 -20.58379 -Infinity 0.622179 -Infinity
7293
107 pt -16.62402 2.25007 -19.22257 Infinity 0.658995 Infinity
7294
108 pt -16.62150 2.81548 -22.25689 Infinity 0.601383 Infinity
7295
109 pt -7.95546 -4.07314 -19.46218 -Infinity 0.751984 -Infinity
7296
110 pt -6.18603 -3.60055 -18.99653 Infinity 0.794148 Infinity
7297
111 pt -9.00310 -4.21677 -17.89601 Infinity 0.784356 Infinity
7298
112 pt -10.24994 -4.43812 -14.87332 -Infinity 0.856321 -Infinity
7299
113 pt -11.59761 -5.53872 -14.13608 Infinity 0.825320 Infinity
7300
114 pt -8.61818 -4.74944 -13.97248 Infinity 0.921683 Infinity
7301
115 pt -12.87200 5.50573 -13.37242 -Infinity 0.913639 -Infinity
7302
116 pt -11.97007 3.85521 -13.55506 Infinity 0.945791 Infinity
7303
117 pt -14.43290 5.26046 -12.33584 Infinity 0.891716 Infinity
7304
118 pt -13.27299 -3.61434 -8.55510 -Infinity 0.977047 -Infinity
7305
119 pt -13.17253 -4.99412 -9.84242 Infinity 0.910700 Infinity
7306
120 pt -11.68924 -2.58481 -8.60878 Infinity 1.084687 Infinity
7307
121 pt -15.46681 0.10533 -17.21917 -Infinity 0.719083 -Infinity
7308
122 pt -14.68176 -0.01137 -15.50419 Infinity 0.780233 Infinity
7309
123 pt -16.81954 -1.20384 -17.38426 Infinity 0.680195 Infinity
7310
124 pt -8.46722 -1.50319 -9.49306 -Infinity 1.269154 -Infinity
7311
125 pt -7.00351 -0.32043 -9.32069 Infinity 1.432597 Infinity
7312
126 pt -7.86074 -3.16492 -10.15781 Infinity 1.188080 Infinity
7313
127 pt -10.80311 2.83247 -18.58692 -Infinity 0.787360 -Infinity
7314
128 pt -12.46309 1.98578 -18.90096 Infinity 0.743862 Infinity
7315
129 pt -10.22091 2.44787 -16.83073 Infinity 0.863208 Infinity
7316
130 pt -18.93762 -4.42326 -13.32443 -Infinity 0.681505 -Infinity
7317
131 pt -20.71115 -4.99137 -13.00367 Infinity 0.642019 Infinity
7318
132 pt -18.12735 -5.56874 -14.59029 Infinity 0.667472 Infinity
7319
133 pt -21.03730 2.75873 -16.81050 -Infinity 0.619337 -Infinity
7320
134 pt -20.11600 3.10196 -18.42434 Infinity 0.611910 Infinity
7321
135 pt -21.15665 0.89276 -16.53668 Infinity 0.618035 Infinity
7322
136 pt -19.60598 -0.61439 -9.83692 -Infinity 0.749343 -Infinity
7323
137 pt -21.45521 -0.39871 -10.16082 Infinity 0.692502 Infinity
7324
138 pt -18.91438 -1.94305 -10.98906 Infinity 0.742273 Infinity
7325
139 pt -19.79811 -2.65689 -19.03401 -Infinity 0.591538 -Infinity
7326
140 pt -18.76461 -3.87736 -20.04068 Infinity 0.585408 Infinity
7327
141 pt -21.29652 -3.54915 -18.30618 Infinity 0.573757 Infinity
7328
142 pt -17.01938 3.91012 -10.52096 -Infinity 0.843823 -Infinity
7329
143 pt -18.20269 5.00418 -11.50782 Infinity 0.779239 Infinity
7330
144 pt -17.85576 2.25881 -10.14057 Infinity 0.818508 Infinity
7331
145 pt -10.73122 0.64341 -13.77879 -Infinity 0.967148 -Infinity
7332
146 pt -10.66492 -1.09418 -14.51869 Infinity 0.916119 Infinity
7333
147 pt -10.09653 0.59614 -11.99946 Infinity 1.080695 Infinity
7334
148 pt -19.96426 6.69702 -13.78268 -Infinity 0.683806 -Infinity
7335
149 pt -21.04521 8.20041 -14.16007 Infinity 0.646726 Infinity
7336
150 pt -20.57731 5.21300 -14.77914 Infinity 0.658215 Infinity
7337
151 pt 4.27626 3.52694 -17.96853 -Infinity 0.909331 -Infinity
7338
152 pt 4.91562 3.51726 -19.74678 Infinity 0.821412 Infinity
7339
153 pt 3.52381 5.21578 -17.57776 Infinity 0.935874 Infinity
7340
154 pt -6.17634 -5.55581 -12.02479 -Infinity 1.041795 -Infinity
7341
155 pt -5.82555 -7.30909 -11.41321 Infinity 1.003395 Infinity
7342
156 pt -4.59371 -4.52722 -11.93337 Infinity 1.128068 Infinity
7343
157 pt -4.11773 1.33628 -9.68469 -Infinity 1.661246 -Infinity
7344
158 pt -3.55466 2.67890 -10.88944 Infinity 1.544827 Infinity
7345
159 pt -4.23001 2.05889 -7.94219 Infinity 2.006632 Infinity
7346
160 pt 3.59832 0.72632 -11.24361 -Infinity 1.402093 -Infinity
7347
161 pt 5.14815 1.53385 -11.96265 Infinity 1.280210 Infinity
7348
162 pt 2.27557 2.04484 -10.95570 Infinity 1.530645 Infinity
7349
163 pt -2.21723 4.79680 -13.03877 -Infinity 1.312952 -Infinity
7350
164 pt -3.42340 6.18766 -13.46507 Infinity 1.228741 Infinity
7351
165 pt -0.66162 5.52898 -12.25451 Infinity 1.404772 Infinity
7352
166 pt 3.82588 -3.32831 -15.07555 -Infinity 0.982780 -Infinity
7353
167 pt 2.42118 -2.87045 -16.25378 Infinity 0.951238 Infinity
7354
168 pt 3.92590 -2.05099 -13.68648 Infinity 1.096856 Infinity
7355
169 pt -0.09210 1.19605 -16.39152 -Infinity 1.028443 -Infinity
7356
170 pt 1.54206 1.93466 -16.98736 Infinity 0.989073 Infinity
7357
171 pt -0.97595 2.43815 -15.27479 Infinity 1.118823 Infinity
7358
172 pt -1.95642 -2.89945 -11.69128 -Infinity 1.271300 -Infinity
7359
173 pt -0.31636 -3.32073 -10.85234 Infinity 1.327224 Infinity
7360
174 pt -2.61616 -1.26771 -11.00337 Infinity 1.415302 Infinity
7361
175 pt 2.61902 -3.73649 -8.93666 -Infinity 1.415092 -Infinity
7362
176 pt 3.02710 -2.04165 -9.66607 Infinity 1.458137 Infinity
7363
177 pt 4.17405 -4.81020 -8.92688 Infinity 1.277176 Infinity
7364
178 pt -3.13459 -2.75184 -17.46241 -Infinity 0.898619 -Infinity
7365
179 pt -2.18436 -1.14372 -17.17591 Infinity 0.946258 Infinity
7366
180 pt -3.14011 -3.77325 -15.87252 Infinity 0.953689 Infinity
7367
181 pt -2.37336 5.77750 -19.79283 -Infinity 0.843778 -Infinity
7368
182 pt -0.86923 6.26149 -18.75629 Infinity 0.893216 Infinity
7369
183 pt -3.65338 7.16645 -19.73422 Infinity 0.829994 Infinity
7370
184 pt 17.61823 2.77547 -20.84229 -Infinity 0.595800 -Infinity
7371
185 pt 17.37522 1.75659 -19.26943 Infinity 0.624944 Infinity
7372
186 pt 18.63192 1.78020 -22.08846 Infinity 0.561270 Infinity
7373
187 pt 8.87635 -4.30935 -16.48298 -Infinity 0.809732 -Infinity
7374
188 pt 9.17509 -6.03980 -17.18109 Infinity 0.755315 Infinity
7375
189 pt 7.02388 -4.04750 -16.21684 Infinity 0.859073 Infinity
7376
190 pt 18.69802 -5.45605 -12.56874 -Infinity 0.661441 -Infinity
7377
191 pt 18.43450 -5.72172 -14.42104 Infinity 0.639430 Infinity
7378
192 pt 17.29826 -6.28483 -11.60704 Infinity 0.696298 Infinity
7379
193 pt 6.85502 -6.63346 -9.49671 -Infinity 1.048865 -Infinity
7380
194 pt 8.36015 -5.61875 -10.02208 Infinity 1.019394 Infinity
7381
195 pt 6.14771 -7.53678 -10.99830 Infinity 0.974338 Infinity
7382
196 pt 7.28602 3.21655 -13.81104 -Infinity 1.068999 -Infinity
7383
197 pt 7.94026 4.98907 -13.77621 Infinity 1.043572 Infinity
7384
198 pt 6.28500 2.94439 -15.39058 Infinity 1.006514 Infinity
7385
199 pt 18.09314 -0.64817 -10.51921 -Infinity 0.750733 -Infinity
7386
200 pt 16.96816 0.45232 -11.56535 Infinity 0.775020 Infinity
7387
201 pt 18.10783 -2.39703 -11.23499 Infinity 0.724892 Infinity
7388
202 pt 16.49225 -0.69579 -17.13462 -Infinity 0.671987 -Infinity
7389
203 pt 14.82783 -0.98985 -17.97978 Infinity 0.686167 Infinity
7390
204 pt 17.49207 -2.29936 -17.13492 Infinity 0.643334 Infinity
7391
205 pt 18.34776 3.21857 -7.00216 -Infinity 0.809656 -Infinity
7392
206 pt 18.15811 1.76327 -8.19262 Infinity 0.797384 Infinity
7393
207 pt 17.55082 4.75770 -7.75518 Infinity 0.830151 Infinity
7394
208 pt 14.37963 -6.41961 -20.43666 -Infinity 0.604933 -Infinity
7395
209 pt 13.11029 -7.60411 -19.69048 Infinity 0.622642 Infinity
7396
210 pt 13.63104 -4.68891 -20.56063 Infinity 0.627217 Infinity
7397
211 pt 18.69232 -5.53013 -17.80981 -Infinity 0.590394 -Infinity
7398
212 pt 19.60316 -7.17954 -17.66534 Infinity 0.566214 Infinity
7399
213 pt 17.14984 -5.75265 -18.87860 Infinity 0.596816 Infinity
7400
214 pt 15.32865 2.62858 -13.27354 -Infinity 0.798923 -Infinity
7401
215 pt 15.60767 4.48028 -13.52732 Infinity 0.784746 Infinity
7402
216 pt 15.75365 1.70252 -14.86504 Infinity 0.746736 Infinity
7403
217 pt 12.13358 -1.76034 -19.54101 -Infinity 0.693998 -Infinity
7404
218 pt 11.31577 -0.49584 -20.68263 Infinity 0.686699 Infinity
7405
219 pt 10.83322 -2.50450 -18.38934 Infinity 0.739770 Infinity
7406
220 pt 10.79349 -4.03853 -11.69171 -Infinity 0.922167 -Infinity
7407
221 pt 10.24390 -4.17547 -13.49456 Infinity 0.877262 Infinity
7408
222 pt 10.91579 -2.21638 -11.20605 Infinity 0.975918 Infinity
7409
223 pt 10.94448 1.05122 -10.90201 -Infinity 1.043454 -Infinity
7410
224 pt 12.62001 1.70130 -11.48599 Infinity 0.947753 Infinity
7411
225 pt 9.57060 1.81775 -11.94889 Infinity 1.069304 Infinity
7412
226 pt -20.51220 13.56484 -11.32195 -Infinity 0.651591 -Infinity
7413
227 pt -21.63193 15.03298 -10.91964 Infinity 0.617061 Infinity
7414
228 pt -21.18448 12.65473 -12.83549 Infinity 0.629439 Infinity
7415
229 pt -10.46531 8.63276 -8.09917 -Infinity 1.215363 -Infinity
7416
230 pt -11.63965 7.17420 -7.84505 Infinity 1.188013 Infinity
7417
231 pt -11.46418 10.18184 -8.51590 Infinity 1.082888 Infinity
7418
232 pt -8.15584 14.57205 -12.86743 -Infinity 0.896639 -Infinity
7419
233 pt -9.14652 13.06925 -13.44293 Infinity 0.897833 Infinity
7420
234 pt -7.96240 14.51836 -10.98840 Infinity 0.967265 Infinity
7421
235 pt -17.59380 8.01623 -18.38067 -Infinity 0.647995 -Infinity
7422
236 pt -17.41503 6.38175 -19.31212 Infinity 0.640044 Infinity
7423
237 pt -18.07839 7.67061 -16.58713 Infinity 0.673463 Infinity
7424
238 pt -10.47261 10.04328 -14.53188 -Infinity 0.891849 -Infinity
7425
239 pt -11.28527 8.48428 -13.83896 Infinity 0.919821 Infinity
7426
240 pt -11.58703 10.79990 -15.85727 Infinity 0.807141 Infinity
7427
241 pt -15.75705 15.93876 -12.14324 -Infinity 0.710708 -Infinity
7428
242 pt -17.40113 15.04925 -11.86600 Infinity 0.693625 Infinity
7429
243 pt -15.74137 17.55522 -11.16454 Infinity 0.696130 Infinity
7430
244 pt -7.46757 19.13515 -14.92637 -Infinity 0.728694 -Infinity
7431
245 pt -7.66247 17.39998 -14.20368 Infinity 0.785893 Infinity
7432
246 pt -8.55473 20.34505 -13.96446 Infinity 0.707287 Infinity
7433
247 pt -10.53631 7.73411 -20.48589 -Infinity 0.719543 -Infinity
7434
248 pt -10.80890 6.05838 -19.65601 Infinity 0.748208 Infinity
7435
249 pt -11.67106 9.02181 -19.69518 Infinity 0.715127 Infinity
7436
250 pt -14.36942 17.86714 -17.06407 -Infinity 0.627010 -Infinity
7437
251 pt -14.75103 17.00470 -15.42650 Infinity 0.659680 Infinity
7438
252 pt -14.51658 19.73790 -16.84121 Infinity 0.602546 Infinity
7439
253 pt -12.66507 13.32467 -8.67145 -Infinity 0.923949 -Infinity
7440
254 pt -13.65329 14.07264 -10.09799 Infinity 0.839085 Infinity
7441
255 pt -13.49633 13.76049 -7.03128 Infinity 0.913000 Infinity
7442
256 pt -13.67835 11.26793 -18.59635 -Infinity 0.689247 -Infinity
7443
257 pt -14.24633 12.83372 -19.48897 Infinity 0.646383 Infinity
7444
258 pt -15.15903 10.12667 -18.32038 Infinity 0.679795 Infinity
7445
259 pt -9.55350 17.21475 -19.29741 -Infinity 0.653467 -Infinity
7446
260 pt -11.34697 17.11204 -18.71090 Infinity 0.647184 Infinity
7447
261 pt -8.50768 18.07782 -17.98120 Infinity 0.676257 Infinity
7448
262 pt -16.11537 15.20517 -21.27365 -Infinity 0.570785 -Infinity
7449
263 pt -15.75178 16.40762 -19.86192 Infinity 0.584647 Infinity
7450
264 pt -16.14023 16.14540 -22.91268 Infinity 0.539914 Infinity
7451
265 pt -15.56823 20.36331 -9.39386 -Infinity 0.666135 -Infinity
7452
266 pt -16.07067 22.00865 -10.17583 Infinity 0.621022 Infinity
7453
267 pt -16.21927 20.28210 -7.62168 Infinity 0.671445 Infinity
7454
268 pt -5.83200 9.47569 -18.95148 -Infinity 0.817533 -Infinity
7455
269 pt -7.58206 8.93927 -19.42119 Infinity 0.784891 Infinity
7456
270 pt -5.66629 9.50971 -17.06934 Infinity 0.897306 Infinity
7457
271 pt 3.38438 18.20479 -19.47598 -Infinity 0.671820 -Infinity
7458
272 pt 1.56547 18.01042 -19.95017 Infinity 0.671036 Infinity
7459
273 pt 4.34344 16.66653 -20.00985 Infinity 0.680406 Infinity
7460
274 pt -5.40757 14.21747 -21.14236 -Infinity 0.688557 -Infinity
7461
275 pt -5.41254 12.47928 -20.40091 Infinity 0.732628 Infinity
7462
276 pt -6.94643 15.15243 -20.56893 Infinity 0.678943 Infinity
7463
277 pt 1.81472 7.96256 -17.37463 -Infinity 0.938083 -Infinity
7464
278 pt 1.91183 9.15844 -15.91466 Infinity 0.996971 Infinity
7465
279 pt 2.11320 8.90645 -18.98431 Infinity 0.847347 Infinity
7466
280 pt -2.39338 19.06227 -15.80484 -Infinity 0.745982 -Infinity
7467
281 pt -4.25574 19.13863 -15.49359 Infinity 0.742879 Infinity
7468
282 pt -2.07362 18.64945 -17.62099 Infinity 0.713320 Infinity
7469
283 pt -1.68225 19.08778 -8.26711 -Infinity 0.933919 -Infinity
7470
284 pt -3.50987 19.43639 -7.93641 Infinity 0.912278 Infinity
7471
285 pt -0.81881 18.65377 -6.64317 Infinity 0.995720 Infinity
7472
286 pt 0.52007 16.42957 -12.34783 -Infinity 0.934825 -Infinity
7473
287 pt -0.15314 16.97696 -10.66908 Infinity 0.971210 Infinity
7474
288 pt -0.61742 17.05883 -13.71940 Infinity 0.865967 Infinity
7475
289 pt 1.98065 6.69714 -10.83125 -Infinity 1.515992 -Infinity
7476
290 pt 2.12094 8.35921 -11.71946 Infinity 1.337380 Infinity
7477
291 pt 3.13423 6.68224 -9.33456 Infinity 1.678444 Infinity
7478
292 pt -3.42677 11.77691 -8.96846 -Infinity 1.359532 -Infinity
7479
293 pt -1.84671 12.20825 -8.02590 Infinity 1.431740 Infinity
7480
294 pt -4.79613 12.98915 -8.49266 Infinity 1.255411 Infinity
7481
295 pt -1.69243 17.86562 -20.75919 -Infinity 0.657142 -Infinity
7482
296 pt -2.77250 16.31592 -20.70485 Infinity 0.680598 Infinity
7483
297 pt -2.14218 18.89518 -22.27866 Infinity 0.610601 Infinity
7484
298 pt 2.49167 11.35979 -13.31685 -Infinity 1.080694 -Infinity
7485
299 pt 4.29097 11.88123 -13.56527 Infinity 1.017086 Infinity
7486
300 pt 1.45574 12.86995 -12.85066 Infinity 1.058184 Infinity
7487
301 pt 4.15256 19.68008 -14.52764 -Infinity 0.745134 -Infinity
7488
302 pt 4.10427 19.22717 -16.36166 Infinity 0.716205 Infinity
7489
303 pt 3.17471 18.40254 -13.53630 Infinity 0.812440 Infinity
7490
304 pt -5.34369 9.06368 -13.58436 -Infinity 1.103173 -Infinity
7491
305 pt -4.56429 10.12334 -12.22763 Infinity 1.179217 Infinity
7492
306 pt -7.21175 9.34767 -13.61184 Infinity 1.042470 Infinity
7493
307 pt 5.51909 12.74785 -7.79960 -Infinity 1.249239 -Infinity
7494
308 pt 6.84907 11.60317 -8.50098 Infinity 1.220128 Infinity
7495
309 pt 6.04110 14.54720 -8.04639 Infinity 1.103534 Infinity
7496
310 pt 7.55422 17.69529 -8.34983 -Infinity 0.900773 -Infinity
7497
311 pt 8.93124 16.86297 -7.35880 Infinity 0.919055 Infinity
7498
312 pt 8.25716 18.35595 -9.97479 Infinity 0.828734 Infinity
7499
313 pt 12.51264 8.26325 -17.98030 -Infinity 0.732403 -Infinity
7500
314 pt 12.76237 7.06115 -19.41684 Infinity 0.698291 Infinity
7501
315 pt 12.89628 10.02201 -18.55534 Infinity 0.697311 Infinity
7502
316 pt 15.15863 14.50952 -15.18404 -Infinity 0.674537 -Infinity
7503
317 pt 14.53013 13.69591 -16.76964 Infinity 0.667956 Infinity
7504
318 pt 16.96768 15.00892 -15.40540 Infinity 0.632447 Infinity
7505
319 pt 11.69218 13.42587 -11.37740 -Infinity 0.854930 -Infinity
7506
320 pt 13.10789 13.80737 -12.56957 Infinity 0.780219 Infinity
7507
321 pt 12.02057 14.26793 -9.71784 Infinity 0.862751 Infinity
7508
322 pt 19.34256 17.78522 -10.15275 -Infinity 0.615316 -Infinity
7509
323 pt 20.00732 18.81386 -11.59186 Infinity 0.579788 Infinity
7510
324 pt 17.61206 18.38881 -9.69218 Infinity 0.642716 Infinity
7511
325 pt 14.81918 20.47538 -9.64207 -Infinity 0.657798 -Infinity
7512
326 pt 12.98029 20.09686 -9.42698 Infinity 0.700010 Infinity
7513
327 pt 15.06825 21.53920 -11.18392 Infinity 0.620309 Infinity
7514
328 pt 14.98955 21.15042 -20.51346 -Infinity 0.525925 -Infinity
7515
329 pt 16.21383 22.53864 -20.89426 Infinity 0.498407 Infinity
7516
330 pt 13.51704 21.26685 -21.69211 Infinity 0.523669 Infinity
7517
331 pt 13.89712 12.83427 -19.90002 -Infinity 0.629014 -Infinity
7518
332 pt 15.54440 12.73369 -20.82058 Infinity 0.591811 Infinity
7519
333 pt 12.66678 13.84581 -20.91694 Infinity 0.617124 Infinity
7520
334 pt 19.90034 11.17125 -7.01999 -Infinity 0.710135 -Infinity
7521
335 pt 21.11668 11.41634 -8.44530 Infinity 0.663391 Infinity
7522
336 pt 19.66644 12.80632 -6.10191 Infinity 0.704829 Infinity
7523
337 pt 15.86282 7.87100 -13.98277 -Infinity 0.752203 -Infinity
7524
338 pt 14.54451 7.97822 -15.33245 Infinity 0.755248 Infinity
7525
339 pt 17.31754 8.99067 -14.43131 Infinity 0.698496 Infinity
7526
340 pt 16.39531 7.65074 -8.74055 -Infinity 0.843536 -Infinity
7527
341 pt 16.02372 7.79584 -10.58769 Infinity 0.820240 Infinity
7528
342 pt 17.57354 9.03470 -8.22337 Infinity 0.793820 Infinity
7529
343 pt 7.35608 12.96702 -14.14013 -Infinity 0.894736 -Infinity
7530
344 pt 7.55487 14.02914 -15.69044 Infinity 0.813303 Infinity
7531
345 pt 8.83941 13.23158 -12.99959 Infinity 0.892328 Infinity
7532
346 pt 9.16161 19.75391 -12.73446 -Infinity 0.723146 -Infinity
7533
347 pt 10.48547 19.52301 -14.06304 Infinity 0.687114 Infinity
7534
348 pt 7.45223 19.75261 -13.54011 Infinity 0.731033 Infinity
7535
349 pt 19.08925 7.72274 -19.74208 -Infinity 0.584300 -Infinity
7536
350 pt 19.73373 8.29799 -21.42279 Infinity 0.550005 Infinity
7537
351 pt 18.67397 5.88095 -19.82230 Infinity 0.594138 Infinity
7538
352 pt 19.79484 20.54218 -14.54924 -Infinity 0.539463 -Infinity
7539
353 pt 20.98732 21.54741 -15.61628 Infinity 0.507346 Infinity
7540
354 pt 18.17466 21.49346 -14.34631 Infinity 0.550677 Infinity
7541
355 pt 8.64407 15.94060 -18.12352 -Infinity 0.697343 -Infinity
7542
356 pt 9.97504 17.12270 -17.48931 Infinity 0.675086 Infinity
7543
357 pt 8.94245 15.57806 -19.95398 Infinity 0.659204 Infinity
7544
358 pt 8.82622 8.03342 -14.40719 -Infinity 0.948718 -Infinity
7545
359 pt 8.04678 9.75450 -14.44491 Infinity 0.940286 Infinity
7546
360 pt 10.17959 7.92476 -15.72158 Infinity 0.858339 Infinity
7547
361 pt 9.29214 9.05886 -9.37471 -Infinity 1.150381 -Infinity
7548
362 pt 10.64707 10.37537 -9.41985 Infinity 1.035961 Infinity
7549
363 pt 9.11064 8.28127 -11.08745 Infinity 1.094027 Infinity
7550
364 pt 12.59656 18.81072 -16.48613 -Infinity 0.632535 -Infinity
7551
365 pt 13.51634 19.77220 -17.82800 Infinity 0.588886 Infinity
7552
366 pt 13.68233 17.39219 -15.86974 Infinity 0.648023 Infinity
7553
367 pt 19.85628 15.93881 -16.90093 -Infinity 0.559893 -Infinity
7554
368 pt 19.89661 16.39178 -18.73512 Infinity 0.535941 Infinity
7555
369 pt 20.11658 17.49494 -15.86085 Infinity 0.553334 Infinity
7556
370 pt 20.01751 10.81339 -15.74687 -Infinity 0.609957 -Infinity
7557
371 pt 19.77094 9.70771 -17.25939 Infinity 0.600356 Infinity
7558
372 pt 20.13893 12.61719 -16.29698 Infinity 0.588689 Infinity
7559
373 pt -10.99968 -18.26661 -1.58808 -Infinity 0.660315 -Infinity
7560
374 pt -12.19107 -16.96496 -0.91182 Infinity 0.677576 Infinity
7561
375 pt -9.67838 -17.42441 -2.64446 Infinity 0.696619 Infinity
7562
376 pt -17.07080 -16.08783 3.90721 -Infinity 0.611885 -Infinity
7563
377 pt -15.88624 -15.62041 2.51100 Infinity 0.644704 Infinity
7564
378 pt -17.82564 -14.52057 4.64544 Infinity 0.623889 Infinity
7565
379 pt -7.64994 -15.34519 -4.31920 -Infinity 0.780853 -Infinity
7566
380 pt -5.84107 -15.10079 -3.83000 Infinity 0.814723 Infinity
7567
381 pt -8.56352 -13.69507 -4.20282 Infinity 0.828767 Infinity
7568
382 pt -18.71630 -16.46945 -4.51890 -Infinity 0.586953 -Infinity
7569
383 pt -19.33053 -15.17988 -3.28165 Infinity 0.601139 Infinity
7570
384 pt -19.81723 -16.44500 -6.05462 Infinity 0.567019 Infinity
7571
385 pt -9.86959 -10.73166 -3.77464 -Infinity 0.926264 -Infinity
7572
386 pt -8.61634 -10.35968 -2.41008 Infinity 0.990987 Infinity
7573
387 pt -11.58605 -10.16114 -3.22750 Infinity 0.902689 Infinity
7574
388 pt -10.02696 -11.78005 3.35277 -Infinity 0.861675 -Infinity
7575
389 pt -8.56512 -11.65388 2.16190 Infinity 0.913937 Infinity
7576
390 pt -10.23775 -10.14074 4.26890 Infinity 0.908995 Infinity
7577
391 pt -13.61008 -14.11729 0.31874 -Infinity 0.726579 -Infinity
7578
392 pt -12.36111 -13.30659 1.48231 Infinity 0.771177 Infinity
7579
393 pt -14.28237 -12.82482 -0.88484 Infinity 0.748733 Infinity
7580
394 pt -18.89261 -11.57907 5.90763 -Infinity 0.645971 -Infinity
7581
395 pt -17.49434 -10.44890 6.48955 Infinity 0.688761 Infinity
7582
396 pt -19.96409 -10.66111 4.65051 Infinity 0.647422 Infinity
7583
397 pt -17.70218 -20.26346 6.80337 -Infinity 0.526200 -Infinity
7584
398 pt -18.03019 -19.65004 8.56041 Infinity 0.522481 Infinity
7585
399 pt -17.52638 -18.78388 5.64104 Infinity 0.554362 Infinity
7586
400 pt -16.47246 -7.48584 1.83767 -Infinity 0.818270 -Infinity
7587
401 pt -15.80450 -7.69951 3.59244 Infinity 0.821054 Infinity
7588
402 pt -18.32420 -7.86229 1.81723 Infinity 0.751681 Infinity
7589
403 pt -10.83497 -16.28225 6.09076 -Infinity 0.681154 -Infinity
7590
404 pt -10.06538 -17.55499 4.92502 Infinity 0.668040 Infinity
7591
405 pt -10.60359 -14.54909 5.37405 Infinity 0.737080 Infinity
7592
406 pt -14.75557 -9.61318 -2.50355 -Infinity 0.824854 -Infinity
7593
407 pt -15.44173 -8.47197 -3.84441 Infinity 0.828561 Infinity
7594
408 pt -15.26900 -8.96857 -0.80298 Infinity 0.829199 Infinity
7595
409 pt -15.26518 -7.85021 6.85560 -Infinity 0.791632 -Infinity
7596
410 pt -13.44181 -7.38501 6.68246 Infinity 0.861240 Infinity
7597
411 pt -16.24588 -6.34816 7.44987 Infinity 0.784560 Infinity
7598
412 pt -9.15424 -20.04408 2.90451 -Infinity 0.628120 -Infinity
7599
413 pt -9.72694 -21.82643 3.16195 Infinity 0.584748 Infinity
7600
414 pt -9.67200 -19.45720 1.18446 Infinity 0.642693 Infinity
7601
415 pt 4.74267 -10.87169 2.62625 -Infinity 1.005578 -Infinity
7602
416 pt 5.45500 -12.53613 3.16782 Infinity 0.899370 Infinity
7603
417 pt 5.78511 -9.47286 3.35265 Infinity 1.049086 Infinity
7604
418 pt 1.39275 -12.03776 -5.60165 -Infinity 0.972245 -Infinity
7605
419 pt 1.90538 -13.30985 -6.90167 Infinity 0.883365 Infinity
7606
420 pt 2.79702 -11.80475 -4.35876 Infinity 0.989447 Infinity
7607
421 pt -5.13487 -20.95870 6.01170 -Infinity 0.615807 -Infinity
7608
422 pt -4.30835 -22.59371 5.54839 Infinity 0.586181 Infinity
7609
423 pt -6.38205 -20.48107 4.67473 Infinity 0.628813 Infinity
7610
424 pt 0.80659 -14.65006 6.66275 -Infinity 0.803826 -Infinity
7611
425 pt 1.28665 -15.88752 5.31765 Infinity 0.775594 Infinity
7612
426 pt 0.34550 -12.99960 5.86621 Infinity 0.886342 Infinity
7613
427 pt 2.05853 -18.14118 3.17919 -Infinity 0.715989 -Infinity
7614
428 pt 2.05728 -19.83687 4.01328 Infinity 0.662217 Infinity
7615
429 pt 0.99265 -18.20419 1.62003 Infinity 0.725199 Infinity
7616
430 pt 5.51207 -11.81952 -2.46082 -Infinity 0.958253 -Infinity
7617
431 pt 5.14314 -11.37450 -0.66167 Infinity 0.994049 Infinity
7618
432 pt 6.27717 -13.54563 -2.53968 Infinity 0.861252 Infinity
7619
433 pt 3.41918 -19.86920 -3.86366 -Infinity 0.666335 -Infinity
7620
434 pt 3.58605 -20.32871 -5.68906 Infinity 0.646079 Infinity
7621
435 pt 3.85309 -21.36551 -2.79415 Infinity 0.628601 Infinity
7622
436 pt 6.55200 -15.50126 3.81193 -Infinity 0.761648 -Infinity
7623
437 pt 7.58645 -16.40599 5.10902 Infinity 0.710737 Infinity
7624
438 pt 5.02958 -16.53618 3.38501 Infinity 0.747174 Infinity
7625
439 pt -0.79117 -18.45813 -1.21440 -Infinity 0.724163 -Infinity
7626
440 pt 0.69402 -18.89518 -2.29803 Infinity 0.707867 Infinity
7627
441 pt -2.03087 -19.88419 -1.23804 Infinity 0.679111 Infinity
7628
442 pt -2.83514 -13.97802 -2.79863 -Infinity 0.897018 -Infinity
7629
443 pt -1.49243 -13.11318 -3.80871 Infinity 0.941149 Infinity
7630
444 pt -2.12837 -15.55077 -2.02531 Infinity 0.830305 Infinity
7631
445 pt -0.17203 -10.23513 4.23710 -Infinity 1.076313 -Infinity
7632
446 pt 1.57493 -10.29568 3.51908 Infinity 1.077958 Infinity
7633
447 pt -1.26912 -9.15871 3.13766 Infinity 1.186114 Infinity
7634
448 pt -6.12880 -10.84942 -0.06949 -Infinity 1.031666 -Infinity
7635
449 pt -4.94126 -12.04294 -0.92758 Infinity 0.984460 Infinity
7636
450 pt -5.18620 -9.30540 0.47693 Infinity 1.160423 Infinity
7637
451 pt 7.76594 -7.18959 4.61044 -Infinity 1.079980 -Infinity
7638
452 pt 9.38303 -7.68422 3.76697 Infinity 1.009941 Infinity
7639
453 pt 8.12044 -6.64729 6.38563 Infinity 1.038843 Infinity
7640
454 pt 17.83897 -21.01184 -0.73854 -Infinity 0.520138 -Infinity
7641
455 pt 16.80790 -21.52332 0.76024 Infinity 0.522385 Infinity
7642
456 pt 17.74487 -19.13740 -0.95913 Infinity 0.547564 Infinity
7643
457 pt 10.07093 -19.79978 0.44167 -Infinity 0.620418 -Infinity
7644
458 pt 8.83643 -20.63445 1.60374 Infinity 0.611344 Infinity
7645
459 pt 11.72874 -19.59349 1.32495 Infinity 0.606118 Infinity
7646
460 pt 17.98743 -20.08070 -6.03327 -Infinity 0.524294 -Infinity
7647
461 pt 16.66569 -20.87590 -7.12493 Infinity 0.523394 Infinity
7648
462 pt 17.82057 -20.72966 -4.26633 Infinity 0.521333 Infinity
7649
463 pt 16.77525 -16.03409 -1.64683 -Infinity 0.610012 -Infinity
7650
464 pt 16.47124 -16.29721 -3.49329 Infinity 0.607550 Infinity
7651
465 pt 15.31646 -15.09775 -0.89434 Infinity 0.651369 Infinity
7652
466 pt 21.35336 -8.75224 2.25154 -Infinity 0.630621 -Infinity
7653
467 pt 20.93490 -10.03376 0.92728 Infinity 0.626546 Infinity
7654
468 pt 20.19564 -7.26835 2.08173 Infinity 0.676953 Infinity
7655
469 pt 20.71899 -12.57733 -1.40614 -Infinity 0.598226 -Infinity
7656
470 pt 19.86520 -11.24478 -2.43881 Infinity 0.632416 Infinity
7657
471 pt 19.53433 -14.02551 -1.14081 Infinity 0.598153 Infinity
7658
472 pt 8.75087 -8.62862 -5.08558 -Infinity 1.003267 -Infinity
7659
473 pt 7.48725 -9.63914 -4.10925 Infinity 1.009040 Infinity
7660
474 pt 7.93411 -7.92844 -6.63919 Infinity 1.036910 Infinity
7661
475 pt 13.08366 -11.32575 -4.44227 -Infinity 0.778905 -Infinity
7662
476 pt 11.55390 -10.28202 -4.81850 Infinity 0.848868 Infinity
7663
477 pt 12.89098 -12.13971 -2.74775 Infinity 0.768723 Infinity
7664
478 pt 12.69838 -8.82504 2.88454 -Infinity 0.859009 -Infinity
7665
479 pt 13.18539 -8.66080 4.70303 Infinity 0.827832 Infinity
7666
480 pt 13.06531 -7.20456 1.98426 Infinity 0.905054 Infinity
7667
481 pt 7.36719 -16.67953 -2.84946 -Infinity 0.730635 -Infinity
7668
482 pt 5.80780 -17.68136 -3.21786 Infinity 0.715310 Infinity
7669
483 pt 8.43288 -17.60911 -1.59597 Infinity 0.692880 Infinity
7670
484 pt 17.75987 -9.22626 -3.76190 -Infinity 0.709875 -Infinity
7671
485 pt 16.06502 -10.02624 -4.00391 Infinity 0.736686 Infinity
7672
486 pt 17.67786 -7.40816 -4.27066 Infinity 0.742498 Infinity
7673
487 pt 10.41882 -17.56457 -7.19972 -Infinity 0.648696 -Infinity
7674
488 pt 11.16523 -19.14732 -6.48640 Infinity 0.610627 Infinity
7675
489 pt 9.21856 -16.81329 -5.94830 Infinity 0.689525 Infinity
7676
490 pt 14.38790 -19.25402 3.15836 -Infinity 0.578273 -Infinity
7677
491 pt 15.53909 -17.75699 3.08954 Infinity 0.590429 Infinity
7678
492 pt 14.13496 -19.77326 4.95766 Infinity 0.565510 Infinity
7679
493 pt 12.70381 -13.36246 0.30647 -Infinity 0.740141 -Infinity
7680
494 pt 11.22976 -14.37810 0.91205 Infinity 0.739526 Infinity
7681
495 pt 12.80397 -11.74968 1.28626 Infinity 0.779491 Infinity
7682
496 pt -21.21180 -2.74342 -5.23850 -Infinity 0.728747 -Infinity
7683
497 pt -20.62476 -1.83650 -6.78897 Infinity 0.743619 Infinity
7684
498 pt -22.97513 -3.36926 -5.50320 Infinity 0.670960 Infinity
7685
499 pt -9.82232 2.07296 -3.93728 -Infinity 1.647639 -Infinity
7686
500 pt -11.01994 2.75651 -5.22937 Infinity 1.426438 Infinity
7687
501 pt -8.05360 2.54912 -4.40200 Infinity 1.959749 Infinity
7688
502 pt -7.84151 2.66261 6.20739 -Infinity 1.551191 -Infinity
7689
503 pt -6.93542 2.18133 4.62043 Infinity 1.858189 Infinity
7690
504 pt -9.69637 2.77751 5.86481 Infinity 1.395909 Infinity
7691
505 pt -15.02452 -3.39130 -0.90325 -Infinity 1.000830 -Infinity
7692
506 pt -15.72494 -4.71162 0.25313 Infinity 0.926336 Infinity
7693
507 pt -15.44519 -3.83184 -2.69212 Infinity 0.961388 Infinity
7694
508 pt -15.66196 5.16383 -2.15388 -Infinity 1.054208 -Infinity
7695
509 pt -17.37758 4.68689 -2.78654 Infinity 0.946873 Infinity
7696
510 pt -14.89419 3.69588 -1.24464 Infinity 1.120902 Infinity
7697
511 pt -13.07772 1.29945 0.05333 -Infinity 1.261423 -Infinity
7698
512 pt -11.72340 1.54470 -1.24155 Infinity 1.422859 Infinity
7699
513 pt -13.91135 -0.37511 -0.21494 Infinity 1.153920 Infinity
7700
514 pt -13.04246 2.70863 5.09848 -Infinity 1.150804 -Infinity
7701
515 pt -13.00608 2.23877 3.26846 Infinity 1.213726 Infinity
7702
516 pt -14.21234 1.54894 6.02452 Infinity 1.033914 Infinity
7703
517 pt -20.06185 3.36756 -3.83526 -Infinity 0.813913 -Infinity
7704
518 pt -21.27055 3.45180 -5.28543 Infinity 0.758249 Infinity
7705
519 pt -20.58940 1.99067 -2.65334 Infinity 0.795586 Infinity
7706
520 pt -10.48376 -4.41583 1.33637 -Infinity 1.241068 -Infinity
7707
521 pt -12.10644 -4.03166 0.44733 Infinity 1.156661 Infinity
7708
522 pt -9.03436 -3.76488 0.31335 Infinity 1.427585 Infinity
7709
523 pt -13.47418 4.66642 -6.82685 -Infinity 1.131152 -Infinity
7710
524 pt -14.38485 4.95984 -5.19724 Infinity 1.107148 Infinity
7711
525 pt -14.72483 4.26214 -8.18461 Infinity 1.010390 Infinity
7712
526 pt -16.69766 -5.62401 -5.35629 -Infinity 0.841228 -Infinity
7713
527 pt -18.39313 -4.79005 -5.38768 Infinity 0.795139 Infinity
7714
528 pt -15.56949 -4.80818 -6.63407 Infinity 0.887557 Infinity
7715
529 pt -10.19209 -6.99027 5.65690 -Infinity 1.014323 -Infinity
7716
530 pt -10.38527 -6.03817 4.03602 Infinity 1.094356 Infinity
7717
531 pt -8.51457 -6.58844 6.42861 Infinity 1.073032 Infinity
7718
532 pt 5.52734 2.65018 -4.06081 -Infinity 2.355235 -Infinity
7719
533 pt 6.34991 3.17819 -2.44351 Infinity 2.304591 Infinity
7720
534 pt 5.39301 4.13966 -5.21600 Infinity 2.230798 Infinity
7721
535 pt -1.59998 -3.19213 4.38453 -Infinity 1.816026 -Infinity
7722
536 pt -1.72705 -1.30804 4.45607 Infinity 2.126466 Infinity
7723
537 pt 0.21915 -3.69986 4.32092 Infinity 1.743717 Infinity
7724
538 pt -4.89845 3.24664 -4.94593 -Infinity 2.766166 -Infinity
7725
539 pt -5.04993 5.07011 -5.41827 Infinity 2.481998 Infinity
7726
540 pt -3.65143 3.06099 -3.53826 Infinity 4.118040 Infinity
7727
541 pt 0.58718 1.91583 5.69941 -Infinity 2.237727 -Infinity
7728
542 pt 0.31994 3.74597 6.08701 Infinity 2.194549 Infinity
7729
543 pt 2.28201 1.68176 4.89702 Infinity 2.307919 Infinity
7730
544 pt -3.04631 -6.84232 1.07754 -Infinity 1.460499 -Infinity
7731
545 pt -2.80643 -6.13163 -0.65694 Infinity 1.598986 Infinity
7732
546 pt -2.69032 -5.50348 2.36278 Infinity 1.604810 Infinity
7733
547 pt -7.05546 -2.18730 -1.77826 -Infinity 1.862387 -Infinity
7734
548 pt -7.91523 -1.09037 -3.05442 Infinity 1.816499 Infinity
7735
549 pt -5.46350 -2.88702 -2.51795 Infinity 1.960514 Infinity
7736
550 pt -2.43542 -4.22639 -3.42351 -Infinity 1.903216 -Infinity
7737
551 pt -2.14911 -5.47096 -4.81640 Infinity 1.602822 Infinity
7738
552 pt -1.03004 -2.96317 -3.40733 Infinity 2.267194 Infinity
7739
553 pt -5.62540 6.77327 1.45779 -Infinity 2.444833 -Infinity
7740
554 pt -6.71564 7.49078 0.09118 Infinity 2.157985 Infinity
7741
555 pt -5.83194 4.89557 1.50918 Infinity 2.682089 Infinity
7742
556 pt -5.66761 1.48078 1.69969 -Infinity 2.661107 -Infinity
7743
557 pt -3.99802 1.86383 0.90169 Infinity 3.921195 Infinity
7744
558 pt -6.51874 0.08950 0.74522 Infinity 2.297466 Infinity
7745
559 pt 1.93983 -1.34673 -4.30052 -Infinity 2.431959 -Infinity
7746
560 pt 3.24881 -0.00474 -4.06243 Infinity 2.590096 Infinity
7747
561 pt 2.26749 -2.26789 -5.91767 Infinity 1.939881 Infinity
7748
562 pt 5.34740 1.04911 3.70806 -Infinity 2.000397 -Infinity
7749
563 pt 5.98806 2.14295 2.30658 Infinity 2.153736 Infinity
7750
564 pt 6.65139 0.94238 5.07161 Infinity 1.629631 Infinity
7751
565 pt 3.61045 -3.88127 4.41978 -Infinity 1.561301 -Infinity
7752
566 pt 4.99831 -5.15293 4.25307 Infinity 1.364958 Infinity
7753
567 pt 4.23642 -2.18747 3.86278 Infinity 1.766117 Infinity
7754
568 pt 16.55097 -4.56506 -5.66586 -Infinity 0.820285 -Infinity
7755
569 pt 16.10196 -5.29853 -7.34856 Infinity 0.803596 Infinity
7756
570 pt 14.97084 -4.12477 -4.72756 Infinity 0.902572 Infinity
7757
571 pt 12.32971 3.20156 -0.44969 -Infinity 1.248144 -Infinity
7758
572 pt 12.49368 2.07324 1.05732 Infinity 1.208485 Infinity
7759
573 pt 14.03884 3.51407 -1.19286 Infinity 1.102481 Infinity
7760
574 pt 12.85317 0.36474 3.80637 -Infinity 1.096674 -Infinity
7761
575 pt 11.46498 0.47508 5.08379 Infinity 1.157250 Infinity
7762
576 pt 14.32247 1.40562 4.37978 Infinity 1.003413 Infinity
7763
577 pt 16.39479 3.96921 5.44343 -Infinity 0.884005 -Infinity
7764
578 pt 15.99965 5.80755 5.25527 Infinity 0.899612 Infinity
7765
579 pt 16.08582 3.43710 7.23018 Infinity 0.862797 Infinity
7766
580 pt 21.27511 3.59127 3.64660 -Infinity 0.718215 -Infinity
7767
581 pt 19.48458 3.60096 4.25074 Infinity 0.773866 Infinity
7768
582 pt 21.52870 2.15276 2.44767 Infinity 0.715626 Infinity
7769
583 pt 17.24671 3.47791 -2.06960 -Infinity 0.900839 -Infinity
7770
584 pt 18.23150 2.11585 -1.20587 Infinity 0.851597 Infinity
7771
585 pt 17.41554 3.28790 -3.94216 Infinity 0.882161 Infinity
7772
586 pt 18.49163 -4.12969 2.42118 -Infinity 0.767867 -Infinity
7773
587 pt 16.73931 -4.20484 1.71775 Infinity 0.834644 Infinity
7774
588 pt 18.41264 -4.09162 4.30887 Infinity 0.756490 Infinity
7775
589 pt 7.53362 4.48709 0.40319 -Infinity 1.972586 -Infinity
7776
590 pt 7.59393 6.06598 1.43978 Infinity 1.836619 Infinity
7777
591 pt 9.29032 3.97405 -0.06781 Infinity 1.635935 Infinity
7778
592 pt 20.65244 -0.46885 -0.62063 -Infinity 0.742081 -Infinity
7779
593 pt 21.10057 -1.36666 -2.22194 Infinity 0.720207 Infinity
7780
594 pt 19.94422 -1.70633 0.61958 Infinity 0.754290 Infinity
7781
595 pt 13.52236 -4.06889 1.02423 -Infinity 0.989399 -Infinity
7782
596 pt 13.09223 -2.48991 1.96916 Infinity 1.049807 Infinity
7783
597 pt 12.74065 -4.00799 -0.69515 Infinity 1.043454 Infinity
7784
598 pt 9.09704 -0.64340 -6.27017 -Infinity 1.359561 -Infinity
7785
599 pt 7.84479 0.56102 -5.52699 Infinity 1.602451 Infinity
7786
600 pt 9.85197 0.11318 -7.82861 Infinity 1.241469 Infinity
7787
601 pt 11.56986 -4.32760 -3.74553 -Infinity 1.084148 -Infinity
7788
602 pt 10.70349 -2.87571 -4.58961 Infinity 1.187093 Infinity
7789
603 pt 10.59350 -5.91459 -4.06058 Infinity 1.066365 Infinity
7790
604 pt -14.37489 14.79242 2.86236 -Infinity 0.876958 -Infinity
7791
605 pt -15.47905 14.28163 1.41633 Infinity 0.862791 Infinity
7792
606 pt -15.30360 14.53324 4.48759 Infinity 0.832928 Infinity
7793
607 pt -12.43159 7.91279 5.06400 -Infinity 1.139113 -Infinity
7794
608 pt -12.77934 6.05655 5.13126 Infinity 1.150638 Infinity
7795
609 pt -13.04588 8.61060 3.41878 Infinity 1.127856 Infinity
7796
610 pt -20.46169 8.37994 1.57147 -Infinity 0.775810 -Infinity
7797
611 pt -21.62530 8.42578 0.08319 Infinity 0.739811 Infinity
7798
612 pt -20.40130 6.62564 2.27134 Infinity 0.787225 Infinity
7799
613 pt -10.86253 18.03315 4.58917 -Infinity 0.857149 -Infinity
7800
614 pt -11.65102 19.20656 5.84314 Infinity 0.784148 Infinity
7801
615 pt -12.20396 16.96660 3.79288 Infinity 0.868129 Infinity
7802
616 pt -7.62737 9.69352 5.20704 -Infinity 1.414609 -Infinity
7803
617 pt -9.43534 9.14440 5.23532 Infinity 1.305321 Infinity
7804
618 pt -6.70479 8.75733 3.84929 Infinity 1.687326 Infinity
7805
619 pt -7.64288 14.62157 6.82715 -Infinity 1.041500 -Infinity
7806
620 pt -8.81641 15.74997 5.86768 Infinity 0.981187 Infinity
7807
621 pt -7.64053 12.90166 6.04423 Infinity 1.163306 Infinity
7808
622 pt -20.78287 18.64525 -0.96946 -Infinity 0.634211 -Infinity
7809
623 pt -22.28411 19.79289 -0.95372 Infinity 0.590043 Infinity
7810
624 pt -20.09734 18.47902 0.78367 Infinity 0.649032 Infinity
7811
625 pt -18.03100 12.78636 -0.37095 -Infinity 0.809598 -Infinity
7812
626 pt -18.79745 11.19558 0.30215 Infinity 0.807850 Infinity
7813
627 pt -19.39683 14.04200 -0.73005 Infinity 0.742339 Infinity
7814
628 pt -19.67272 18.34854 4.18055 -Infinity 0.646930 -Infinity
7815
629 pt -19.07924 19.95700 4.97534 Infinity 0.628259 Infinity
7816
630 pt -18.93728 16.87666 5.10994 Infinity 0.680147 Infinity
7817
631 pt -7.81325 14.55535 -7.57302 -Infinity 1.087770 -Infinity
7818
632 pt -7.71586 15.21064 -5.80322 Infinity 1.104125 Infinity
7819
633 pt -9.55651 13.90917 -7.91153 Infinity 1.042974 Infinity
7820
634 pt -12.91441 19.83868 -2.99521 -Infinity 0.779115 -Infinity
7821
635 pt -14.66085 20.20473 -3.61733 Infinity 0.728292 Infinity
7822
636 pt -12.10797 21.44068 -2.39995 Infinity 0.749921 Infinity
7823
637 pt -8.87651 13.43904 0.41749 -Infinity 1.227504 -Infinity
7824
638 pt -10.53224 13.62310 1.30953 Infinity 1.111757 Infinity
7825
639 pt -8.81463 11.76605 -0.45907 Infinity 1.368775 Infinity
7826
640 pt -13.92399 9.28412 0.20915 -Infinity 1.097471 -Infinity
7827
641 pt -15.16843 10.67923 -0.06670 Infinity 0.983274 Infinity
7828
642 pt -14.55154 7.70588 -0.61934 Infinity 1.098199 Infinity
7829
643 pt -8.63772 8.92542 -2.02870 -Infinity 1.639969 -Infinity
7830
644 pt -10.49541 8.60703 -2.16541 Infinity 1.430124 Infinity
7831
645 pt -7.82600 8.65782 -3.71410 Infinity 1.724155 Infinity
7832
646 pt -8.36040 17.33962 -2.88347 -Infinity 1.002541 -Infinity
7833
647 pt -8.42212 15.95094 -1.60331 Infinity 1.087454 Infinity
7834
648 pt -10.04027 18.20167 -2.96072 Infinity 0.911058 Infinity
7835
649 pt -17.64123 21.10228 -4.49204 -Infinity 0.647144 -Infinity
7836
650 pt -17.92000 22.97121 -4.47104 Infinity 0.609224 Infinity
7837
651 pt -18.78677 20.27931 -3.23444 Infinity 0.644412 Infinity
7838
652 pt -14.54615 14.75842 -4.13199 -Infinity 0.880003 -Infinity
7839
653 pt -14.06073 16.47724 -3.51467 Infinity 0.848680 Infinity
7840
654 pt -15.86939 14.03048 -2.99612 Infinity 0.858023 Infinity
7841
655 pt -1.04547 8.94461 2.24426 -Infinity 2.483301 -Infinity
7842
656 pt -2.65228 8.05143 1.80667 Infinity 2.724010 Infinity
7843
657 pt -0.44574 8.36916 3.94139 Infinity 2.277880 Infinity
7844
658 pt 5.16522 13.32435 6.05069 -Infinity 1.201732 -Infinity
7845
659 pt 7.05463 13.29978 6.07462 Infinity 1.126677 Infinity
7846
660 pt 4.50206 12.01566 7.24174 Infinity 1.245162 Infinity
7847
661 pt 1.96910 11.73570 -0.97374 -Infinity 1.883090 -Infinity
7848
662 pt 1.09769 10.57957 0.24079 Infinity 2.188601 Infinity
7849
663 pt 3.83433 11.67278 -0.67706 Infinity 1.754097 Infinity
7850
664 pt 0.76221 12.80529 -5.83950 -Infinity 1.531748 -Infinity
7851
665 pt 1.04272 12.24136 -4.05782 Infinity 1.725631 Infinity
7852
666 pt 2.40925 12.81186 -6.76594 Infinity 1.429501 Infinity
7853
667 pt 0.15059 17.50823 -3.76919 -Infinity 1.126883 -Infinity
7854
668 pt 1.73852 17.89860 -2.82200 Infinity 1.097078 Infinity
7855
669 pt 0.21632 15.73001 -4.40532 Infinity 1.268277 Infinity
7856
670 pt -3.54340 13.76943 1.45820 -Infinity 1.456746 -Infinity
7857
671 pt -2.76154 12.05154 1.55112 Infinity 1.734687 Infinity
7858
672 pt -5.38987 13.60331 1.09210 Infinity 1.402763 Infinity
7859
673 pt 2.22947 15.85313 2.70721 -Infinity 1.218887 -Infinity
7860
674 pt 1.35257 14.64546 1.54805 Infinity 1.387991 Infinity
7861
675 pt 3.30640 14.88961 3.92496 Infinity 1.237628 Infinity
7862
676 pt 2.11694 20.02867 5.67846 -Infinity 0.890298 -Infinity
7863
677 pt 1.23628 19.78640 7.33279 Infinity 0.872193 Infinity
7864
678 pt 1.84633 18.50717 4.59087 Infinity 0.991401 Infinity
7865
679 pt -6.69631 19.79336 -7.29379 -Infinity 0.867695 -Infinity
7866
680 pt -6.97534 19.52589 -5.44402 Infinity 0.900814 Infinity
7867
681 pt -7.32278 18.28887 -8.25041 Infinity 0.902258 Infinity
7868
682 pt -3.80620 20.07663 -1.62115 -Infinity 0.949884 -Infinity
7869
683 pt -2.40307 18.98148 -2.25592 Infinity 1.027379 Infinity
7870
684 pt -5.40946 19.07797 -1.56379 Infinity 0.982851 Infinity
7871
685 pt 7.18690 20.33000 4.21037 -Infinity 0.835695 -Infinity
7872
686 pt 5.40864 20.09777 4.80613 Infinity 0.865610 Infinity
7873
687 pt 7.75830 18.77156 3.30712 Infinity 0.898729 Infinity
7874
688 pt 4.39486 18.66935 -1.00449 -Infinity 1.010386 -Infinity
7875
689 pt 6.23181 18.23115 -0.93610 Infinity 0.994779 Infinity
7876
690 pt 3.49555 17.84562 0.43904 Infinity 1.075870 Infinity
7877
691 pt -5.81882 7.99776 -6.42800 -Infinity 1.826572 -Infinity
7878
692 pt -4.63192 9.19516 -7.28157 Infinity 1.708419 Infinity
7879
693 pt -7.52205 8.11254 -7.23849 Infinity 1.542093 Infinity
7880
694 pt 5.30554 7.12042 -6.74314 -Infinity 1.824865 -Infinity
7881
695 pt 6.93618 7.44347 -7.64186 Infinity 1.512159 Infinity
7882
696 pt 4.65091 8.73987 -6.02210 Infinity 1.837350 Infinity
7883
697 pt -3.27418 16.92821 5.59101 -Infinity 1.052403 -Infinity
7884
698 pt -2.79925 16.12487 3.94780 Infinity 1.164508 Infinity
7885
699 pt -4.83241 16.10238 6.26998 Infinity 1.054066 Infinity
7886
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7887
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7888
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7889
703 pt 21.02070 11.18784 5.73522 -Infinity 0.672494 -Infinity
7890
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7891
705 pt 20.70563 10.30874 7.37808 Infinity 0.672948 Infinity
7892
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7893
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7894
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7895
709 pt 16.06063 9.91965 4.83478 -Infinity 0.858004 -Infinity
7896
710 pt 17.84160 10.54742 4.90629 Infinity 0.781498 Infinity
7897
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7898
712 pt 17.75792 17.66392 4.65596 -Infinity 0.674525 -Infinity
7899
713 pt 17.42670 18.04197 6.47762 Infinity 0.661054 Infinity
7900
714 pt 19.60914 17.81330 4.30703 Infinity 0.635420 Infinity
7901
715 pt 14.98483 17.10323 -3.44558 -Infinity 0.775177 -Infinity
7902
716 pt 14.76769 16.76151 -1.59974 Infinity 0.795177 Infinity
7903
717 pt 16.74625 16.65926 -3.96651 Infinity 0.734402 Infinity
7904
718 pt 14.03993 15.74709 1.58745 -Infinity 0.838192 -Infinity
7905
719 pt 15.34082 16.47468 2.74907 Infinity 0.771801 Infinity
7906
720 pt 14.54351 13.99339 1.09551 Infinity 0.871274 Infinity
7907
721 pt 18.99364 8.50351 -2.41122 -Infinity 0.795485 -Infinity
7908
722 pt 19.44902 9.04608 -4.16316 Infinity 0.766317 Infinity
7909
723 pt 18.42872 6.70036 -2.43592 Infinity 0.833271 Infinity
7910
724 pt 8.85099 16.48079 0.99137 -Infinity 0.999268 -Infinity
7911
725 pt 10.73548 16.40640 1.11062 Infinity 0.933870 Infinity
7912
726 pt 8.17349 14.75553 0.62321 Infinity 1.128109 Infinity
7913
727 pt 7.14382 11.58925 -0.29711 -Infinity 1.454278 -Infinity
7914
728 pt 7.40482 10.45302 1.19014 Infinity 1.506994 Infinity
7915
729 pt 8.46415 11.23435 -1.60165 Infinity 1.367891 Infinity
7916
730 pt 19.81218 16.06577 -5.07808 -Infinity 0.662943 -Infinity
7917
731 pt 20.03929 16.89819 -6.75932 Infinity 0.637658 Infinity
7918
732 pt 20.82775 16.98525 -3.77645 Infinity 0.632532 Infinity
7919
733 pt 11.45751 14.85075 -6.33223 -Infinity 0.930736 -Infinity
7920
734 pt 11.11913 13.25392 -5.38003 Infinity 1.022450 Infinity
7921
735 pt 12.79655 15.84411 -5.44269 Infinity 0.862556 Infinity
7922
736 pt 12.05174 21.30964 -4.22417 -Infinity 0.730414 -Infinity
7923
737 pt 11.29598 21.78195 -2.55779 Infinity 0.737405 Infinity
7924
738 pt 13.19777 19.82407 -3.99885 Infinity 0.747672 Infinity
7925
739 pt 8.22941 8.58298 3.72196 -Infinity 1.446098 -Infinity
7926
740 pt 9.25783 10.05850 4.30183 Infinity 1.248161 Infinity
7927
741 pt 7.92210 7.41721 5.17717 Infinity 1.440548 Infinity
7928
742 pt 15.15185 10.95718 -0.04344 -Infinity 0.926387 -Infinity
7929
743 pt 15.25724 10.37281 1.75056 Infinity 0.923151 Infinity
7930
744 pt 16.58017 10.21523 -1.03364 Infinity 0.875781 Infinity
7931
745 pt -17.86367 -6.72730 21.14790 -Infinity 0.533424 -Infinity
7932
746 pt -17.49524 -7.28537 22.91536 Infinity 0.510903 Infinity
7933
747 pt -17.77196 -8.21386 19.98481 Infinity 0.539676 Infinity
7934
748 pt -17.83816 -10.42269 17.78692 -Infinity 0.548682 -Infinity
7935
749 pt -17.79963 -10.25212 15.90531 Infinity 0.574131 Infinity
7936
750 pt -16.96454 -12.01989 18.29369 Infinity 0.536994 Infinity
7937
751 pt -13.40364 -15.47958 10.67078 -Infinity 0.619836 -Infinity
7938
752 pt -13.53822 -13.67019 11.19902 Infinity 0.644336 Infinity
7939
753 pt -12.62782 -15.57861 8.95050 Infinity 0.646064 Infinity
7940
754 pt -9.03130 -8.80745 21.17841 -Infinity 0.595725 -Infinity
7941
755 pt -8.72989 -7.03546 21.76173 Infinity 0.603929 Infinity
7942
756 pt -7.41890 -9.78780 21.27929 Infinity 0.593587 Infinity
7943
757 pt -10.10066 -18.37835 13.55783 -Infinity 0.569866 -Infinity
7944
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7945
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7946
760 pt -7.73996 -19.83492 18.06093 -Infinity 0.514386 -Infinity
7947
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7948
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7949
763 pt -18.52968 -9.50273 12.70889 -Infinity 0.612044 -Infinity
7950
764 pt -16.76575 -9.99752 12.24542 Infinity 0.640594 Infinity
7951
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7952
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7953
767 pt -11.96666 -19.32980 7.31529 Infinity 0.593818 Infinity
7954
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7955
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7956
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7957
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7958
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7959
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7960
774 pt -12.56387 -19.87413 15.10432 Infinity 0.517234 Infinity
7961
775 pt -11.49723 -11.71186 17.27752 -Infinity 0.608745 -Infinity
7962
776 pt -11.11703 -10.47771 18.65716 Infinity 0.605150 Infinity
7963
777 pt -9.88757 -12.49077 16.66648 Infinity 0.622442 Infinity
7964
778 pt 1.81031 -6.67105 19.22954 -Infinity 0.698675 -Infinity
7965
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7966
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7967
781 pt 7.20442 -8.05428 13.79586 -Infinity 0.782262 -Infinity
7968
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7969
783 pt 5.73915 -8.78190 12.85002 Infinity 0.812137 Infinity
7970
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7971
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7972
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7973
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7974
788 pt -0.84935 -18.80553 12.82838 Infinity 0.606221 Infinity
7975
789 pt 0.04431 -21.44380 11.49886 Infinity 0.570327 Infinity
7976
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7977
791 pt -6.56362 -10.89027 15.34210 Infinity 0.704429 Infinity
7978
792 pt -5.33471 -13.15269 17.04446 Infinity 0.636250 Infinity
7979
793 pt 4.18357 -17.03330 10.04943 -Infinity 0.668056 -Infinity
7980
794 pt 3.04785 -18.20169 11.00656 Infinity 0.634522 Infinity
7981
795 pt 3.15174 -15.97278 8.87397 Infinity 0.717387 Infinity
7982
796 pt -6.54549 -7.68287 14.28475 -Infinity 0.800676 -Infinity
7983
797 pt -5.80677 -8.26278 12.64491 Infinity 0.847097 Infinity
7984
798 pt -5.50158 -6.27072 14.98271 Infinity 0.820595 Infinity
7985
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7986
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7987
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7988
802 pt 3.08739 -9.67077 11.44641 -Infinity 0.858283 -Infinity
7989
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7990
804 pt 1.76466 -8.94654 12.58525 Infinity 0.854480 Infinity
7991
805 pt -3.70750 -16.64419 13.77099 -Infinity 0.631982 -Infinity
7992
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7993
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7994
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7995
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7996
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7997
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7998
812 pt -1.75256 -8.84425 13.47250 Infinity 0.833162 Infinity
7999
813 pt -1.42424 -6.14828 14.93903 Infinity 0.851418 Infinity
8000
814 pt -2.77861 -14.83540 18.63300 -Infinity 0.590523 -Infinity
8001
815 pt -2.74436 -15.72074 16.96385 Infinity 0.602854 Infinity
8002
816 pt -1.77451 -15.82391 19.89224 Infinity 0.558943 Infinity
8003
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8004
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8005
819 pt 4.47250 -20.44883 19.25051 Infinity 0.501414 Infinity
8006
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8007
821 pt -3.37944 -10.70210 9.04886 Infinity 0.900694 Infinity
8008
822 pt -4.33132 -7.76613 9.07710 Infinity 1.018570 Infinity
8009
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8010
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8011
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8012
826 pt 15.16747 -9.43823 12.28275 -Infinity 0.655198 -Infinity
8013
827 pt 14.65656 -7.94004 13.31497 Infinity 0.668877 Infinity
8014
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8015
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8016
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8017
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8018
832 pt 19.65294 -11.14090 14.31445 -Infinity 0.544652 -Infinity
8019
833 pt 19.20185 -10.54838 16.05126 Infinity 0.538057 Infinity
8020
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8021
835 pt 13.63123 -19.83523 8.24212 -Infinity 0.552331 -Infinity
8022
836 pt 14.68392 -18.57293 9.17460 Infinity 0.555154 Infinity
8023
837 pt 11.82794 -19.27029 8.23447 Infinity 0.578491 Infinity
8024
838 pt 12.96215 -14.11234 12.55162 -Infinity 0.612001 -Infinity
8025
839 pt 11.07592 -14.21078 12.49231 Infinity 0.633419 Infinity
8026
840 pt 13.51050 -12.32848 12.25461 Infinity 0.637242 Infinity
8027
841 pt 20.72494 -13.85274 9.48214 -Infinity 0.542547 -Infinity
8028
842 pt 20.72039 -12.68166 10.96525 Infinity 0.544542 Infinity
8029
843 pt 21.86260 -13.16532 8.13891 Infinity 0.542714 Infinity
8030
844 pt 13.58092 -7.55219 7.80554 -Infinity 0.796264 -Infinity
8031
845 pt 11.96363 -6.70445 8.29216 Infinity 0.853544 Infinity
8032
846 pt 14.27607 -8.48668 9.29368 Infinity 0.734676 Infinity
8033
847 pt 17.00846 -9.18735 18.65720 -Infinity 0.545015 -Infinity
8034
848 pt 16.09016 -10.81671 18.38705 Infinity 0.544207 Infinity
8035
849 pt 16.13596 -8.18683 20.00211 Infinity 0.544894 Infinity
8036
850 pt 10.69442 -18.87827 14.87481 -Infinity 0.536966 -Infinity
8037
851 pt 12.18830 -18.69692 13.73178 Infinity 0.539227 Infinity
8038
852 pt 9.42885 -17.53235 14.47742 Infinity 0.569344 Infinity
8039
853 pt 8.54048 -18.70948 7.59673 -Infinity 0.623932 -Infinity
8040
854 pt 8.14838 -20.18484 6.48289 Infinity 0.604467 Infinity
8041
855 pt 7.01141 -18.26229 8.61311 Infinity 0.636975 Infinity
8042
856 pt 16.92288 -16.90012 10.87405 -Infinity 0.542480 -Infinity
8043
857 pt 18.33718 -15.85186 10.18706 Infinity 0.544540 Infinity
8044
858 pt 15.60632 -15.77029 11.62319 Infinity 0.566037 Infinity
8045
859 pt -14.35779 1.01062 18.28948 -Infinity 0.668855 -Infinity
8046
860 pt -12.58023 0.63090 18.80633 Infinity 0.682924 Infinity
8047
861 pt -15.21824 -0.58864 17.76692 Infinity 0.660194 Infinity
8048
862 pt -10.71739 -4.55696 15.61764 -Infinity 0.755711 -Infinity
8049
863 pt -9.38846 -5.84318 15.22950 Infinity 0.768962 Infinity
8050
864 pt -10.05021 -3.32264 16.88349 Infinity 0.745472 Infinity
8051
865 pt -18.95532 4.15391 8.42951 -Infinity 0.773258 -Infinity
8052
866 pt -17.93000 2.58164 8.64804 Infinity 0.803810 Infinity
8053
867 pt -19.87386 4.08392 6.77953 Infinity 0.768152 Infinity
8054
868 pt -7.52667 5.20028 16.38174 -Infinity 0.846978 -Infinity
8055
869 pt -8.84964 6.54788 16.45097 Infinity 0.814778 Infinity
8056
870 pt -7.22655 4.52087 18.11938 Infinity 0.785655 Infinity
8057
871 pt -19.46883 -4.41133 13.56391 -Infinity 0.634974 -Infinity
8058
872 pt -17.87493 -3.87710 14.42713 Infinity 0.655850 Infinity
8059
873 pt -20.75016 -4.91304 14.85911 Infinity 0.590971 Infinity
8060
874 pt -15.63458 -3.93399 17.04020 -Infinity 0.646883 -Infinity
8061
875 pt -16.14141 -4.92796 18.56539 Infinity 0.604336 Infinity
8062
876 pt -13.86072 -4.37493 16.56055 Infinity 0.681494 Infinity
8063
877 pt -15.93699 -0.20604 8.36093 -Infinity 0.869561 -Infinity
8064
878 pt -14.57888 -0.79261 9.53675 Infinity 0.884476 Infinity
8065
879 pt -17.17814 -1.60371 8.08324 Infinity 0.814913 Infinity
8066
880 pt -14.77935 5.29638 15.34931 -Infinity 0.734014 -Infinity
8067
881 pt -14.78921 3.83307 16.54501 Infinity 0.706250 Infinity
8068
882 pt -13.89404 4.80217 13.75462 Infinity 0.800642 Infinity
8069
883 pt -19.13118 -4.29155 8.40821 -Infinity 0.718889 -Infinity
8070
884 pt -20.81007 -4.58425 7.59166 Infinity 0.682054 Infinity
8071
885 pt -19.34234 -4.24395 10.28550 Infinity 0.687347 Infinity
8072
886 pt -12.00014 -1.54845 11.49485 -Infinity 0.901897 -Infinity
8073
887 pt -10.32760 -1.52522 10.61557 Infinity 0.996602 Infinity
8074
888 pt -11.89256 -2.65022 13.02638 Infinity 0.836494 Infinity
8075
889 pt -9.44109 -1.08723 19.32089 -Infinity 0.703430 -Infinity
8076
890 pt -9.11071 -2.31290 20.72078 Infinity 0.662251 Infinity
8077
891 pt -8.28773 0.39915 19.49837 Infinity 0.719913 Infinity
8078
892 pt -18.77419 7.27237 12.60854 -Infinity 0.693342 -Infinity
8079
893 pt -17.42937 6.60541 13.75645 Infinity 0.705918 Infinity
8080
894 pt -18.91657 6.15787 11.08911 Infinity 0.721922 Infinity
8081
895 pt -12.53789 3.70259 11.02405 -Infinity 0.939996 -Infinity
8082
896 pt -12.15383 1.91871 11.51532 Infinity 0.930828 Infinity
8083
897 pt -13.21770 3.73913 9.26122 Infinity 0.979915 Infinity
8084
898 pt 5.45103 -4.11512 16.61270 -Infinity 0.790768 -Infinity
8085
899 pt 4.26681 -4.96279 17.81692 Infinity 0.750505 Infinity
8086
900 pt 4.50979 -2.82035 15.60837 Infinity 0.859990 Infinity
8087
901 pt 0.10396 2.35476 19.91381 -Infinity 0.759736 -Infinity
8088
902 pt -0.78454 3.53726 21.08996 Infinity 0.721060 Infinity
8089
903 pt -0.44446 0.58151 20.26860 Infinity 0.741439 Infinity
8090
904 pt -7.25760 -1.01784 9.68708 -Infinity 1.186598 -Infinity
8091
905 pt -7.36179 0.34424 8.38134 Infinity 1.324337 Infinity
8092
906 pt -6.38323 -0.35246 11.22454 Infinity 1.128327 Infinity
8093
907 pt -3.60323 -3.69808 15.84692 -Infinity 0.855655 -Infinity
8094
908 pt -4.30939 -2.14052 15.04293 Infinity 0.912371 Infinity
8095
909 pt -2.90866 -3.26895 17.55118 Infinity 0.799479 Infinity
8096
910 pt -5.16825 0.93581 13.95808 -Infinity 1.001746 -Infinity
8097
911 pt -6.27960 2.26874 14.70593 Infinity 0.948863 Infinity
8098
912 pt -3.36801 1.50700 14.02096 Infinity 1.030366 Infinity
8099
913 pt -5.45412 -5.22761 7.37482 -Infinity 1.216384 -Infinity
8100
914 pt -6.16226 -3.72517 8.27608 Infinity 1.219403 Infinity
8101
915 pt -4.07553 -4.67154 6.20806 Infinity 1.383329 Infinity
8102
916 pt -1.29332 -2.63752 20.40049 -Infinity 0.714382 -Infinity
8103
917 pt 0.00063 -3.99031 20.14218 Infinity 0.709123 Infinity
8104
918 pt -2.05260 -2.81116 22.12223 Infinity 0.662984 Infinity
8105
919 pt 3.32390 6.59265 15.37567 -Infinity 0.931162 -Infinity
8106
920 pt 2.22595 7.99703 16.00281 Infinity 0.895127 Infinity
8107
921 pt 2.28474 5.02981 15.15491 Infinity 0.966007 Infinity
8108
922 pt 3.11322 -0.68143 13.59844 -Infinity 1.015964 -Infinity
8109
923 pt 1.91031 0.64299 14.20671 Infinity 1.013332 Infinity
8110
924 pt 2.53756 -1.33414 11.92104 Infinity 1.120747 Infinity
8111
925 pt 1.77233 -1.95875 8.96298 -Infinity 1.361035 -Infinity
8112
926 pt 2.52007 -3.14022 7.69173 Infinity 1.387518 Infinity
8113
927 pt 1.02378 -0.46797 8.07510 Infinity 1.569979 Infinity
8114
928 pt -5.02889 6.57733 8.59090 -Infinity 1.439450 -Infinity
8115
929 pt -5.85146 4.98099 8.00256 Infinity 1.504311 Infinity
8116
930 pt -5.90120 8.06118 7.81093 Infinity 1.409838 Infinity
8117
931 pt 5.15081 3.62175 19.56518 -Infinity 0.746683 -Infinity
8118
932 pt 3.39586 2.93908 19.72385 Infinity 0.754723 Infinity
8119
933 pt 5.16411 5.04526 18.32239 Infinity 0.788692 Infinity
8120
934 pt -0.39773 3.00868 14.94088 -Infinity 0.996222 -Infinity
8121
935 pt -1.45892 4.50418 14.48436 Infinity 1.022481 Infinity
8122
936 pt -0.36954 2.80484 16.81937 Infinity 0.891756 Infinity
8123
937 pt -6.64427 3.06752 20.98050 -Infinity 0.698460 -Infinity
8124
938 pt -8.05622 3.05414 22.23640 Infinity 0.652719 Infinity
8125
939 pt -5.08995 3.77893 21.78615 Infinity 0.685823 Infinity
8126
940 pt -3.54152 6.82065 13.62278 -Infinity 1.040178 -Infinity
8127
941 pt -4.02141 6.90556 11.79697 Infinity 1.160892 Infinity
8128
942 pt -5.07582 6.45007 14.66185 Infinity 0.960625 Infinity
8129
943 pt 15.28956 2.36990 10.19345 -Infinity 0.822829 -Infinity
8130
944 pt 14.41910 3.27122 11.60800 Infinity 0.816639 Infinity
8131
945 pt 15.82129 0.65152 10.77268 Infinity 0.784336 Infinity
8132
946 pt 13.60350 5.48755 20.47035 -Infinity 0.619225 -Infinity
8133
947 pt 15.05706 4.42857 21.05067 Infinity 0.590842 Infinity
8134
948 pt 14.20971 6.75059 19.20216 Infinity 0.633337 Infinity
8135
949 pt 17.83282 -4.42497 7.54921 -Infinity 0.733000 -Infinity
8136
950 pt 17.61342 -3.43544 9.14413 Infinity 0.727687 Infinity
8137
951 pt 16.42018 -5.66856 7.37887 Infinity 0.758021 Infinity
8138
952 pt 20.63971 -5.69242 17.81695 -Infinity 0.535657 -Infinity
8139
953 pt 22.06783 -6.15052 18.96659 Infinity 0.503896 Infinity
8140
954 pt 19.21924 -6.91539 18.05705 Infinity 0.543183 Infinity
8141
955 pt 9.03196 -5.69482 9.46745 -Infinity 0.938973 -Infinity
8142
956 pt 8.50814 -6.82405 10.88925 Infinity 0.874159 Infinity
8143
957 pt 8.73243 -3.89246 9.94998 Infinity 0.983610 Infinity
8144
958 pt 8.08020 -1.06668 11.74684 -Infinity 0.990239 -Infinity
8145
959 pt 9.12321 -1.17995 13.31859 Infinity 0.888958 Infinity
8146
960 pt 6.27344 -0.76186 12.20918 Infinity 1.027065 Infinity
8147
961 pt 7.59035 6.14263 8.18668 -Infinity 1.275373 -Infinity
8148
962 pt 5.89008 6.69739 8.79692 Infinity 1.315510 Infinity
8149
963 pt 8.92504 6.80640 9.34818 Infinity 1.110783 Infinity
8150
964 pt 16.80379 -2.32910 12.31052 -Infinity 0.704987 -Infinity
8151
965 pt 15.60887 -3.45022 13.25197 Infinity 0.704340 Infinity
8152
966 pt 18.35491 -2.04450 13.35171 Infinity 0.654921 Infinity
8153
967 pt 10.05775 -1.84152 16.49893 -Infinity 0.753064 -Infinity
8154
968 pt 10.18823 -0.51532 17.83880 Infinity 0.722578 Infinity
8155
969 pt 8.44483 -2.80181 16.71661 Infinity 0.763528 Infinity
8156
970 pt 9.02799 1.27669 7.27210 -Infinity 1.241023 -Infinity
8157
971 pt 8.88781 0.32553 8.89897 Infinity 1.133868 Infinity
8158
972 pt 8.66360 3.10569 7.57714 Infinity 1.268716 Infinity
8159
973 pt 10.01193 1.83640 20.06930 -Infinity 0.674929 -Infinity
8160
974 pt 8.23288 2.46530 19.96664 Infinity 0.700594 Infinity
8161
975 pt 11.18337 3.29652 20.32786 Infinity 0.655468 Infinity
8162
976 pt 13.02418 4.68106 14.39947 -Infinity 0.777008 -Infinity
8163
977 pt 14.17957 5.93938 15.20742 Infinity 0.725404 Infinity
8164
978 pt 12.54691 3.36003 15.66365 Infinity 0.753200 Infinity
8165
979 pt 20.48376 -0.73545 19.46277 -Infinity 0.538617 -Infinity
8166
980 pt 21.58442 -0.96892 20.98102 Infinity 0.506800 Infinity
8167
981 pt 20.28910 -2.38668 18.56465 Infinity 0.547057 Infinity
8168
982 pt 13.50882 -5.46813 15.27659 -Infinity 0.683637 -Infinity
8169
983 pt 13.04464 -6.89549 16.42475 Infinity 0.652149 Infinity
8170
984 pt 12.36482 -3.99951 15.60138 Infinity 0.713349 Infinity
8171
985 pt -8.55991 13.14493 11.60940 -Infinity 0.897699 -Infinity
8172
986 pt -9.33535 11.43121 11.42797 Infinity 0.929772 Infinity
8173
987 pt -8.19330 13.85605 9.89740 Infinity 0.946720 Infinity
8174
988 pt -10.43545 18.37425 18.47163 -Infinity 0.604938 -Infinity
8175
989 pt -10.09199 17.95506 20.28199 Infinity 0.582428 Infinity
8176
990 pt -10.76316 16.78284 17.50670 Infinity 0.640090 Infinity
8177
991 pt -11.44289 8.86335 17.26624 -Infinity 0.727540 -Infinity
8178
992 pt -12.84569 7.74335 16.67563 Infinity 0.727231 Infinity
8179
993 pt -11.11901 8.55414 19.10214 Infinity 0.685817 Infinity
8180
994 pt -11.82212 13.92481 15.61252 -Infinity 0.706135 -Infinity
8181
995 pt -11.79534 12.21857 16.42437 Infinity 0.709809 Infinity
8182
996 pt -10.65664 13.93414 14.12503 Infinity 0.761600 Infinity
8183
997 pt -17.72025 14.22438 6.78921 -Infinity 0.737931 -Infinity
8184
998 pt -19.25319 13.23264 6.30174 Infinity 0.717514 Infinity
8185
999 pt -17.17041 13.72294 8.52625 Infinity 0.736838 Infinity
8186
1000 pt -16.78834 12.13248 11.60121 -Infinity 0.717182 -Infinity
8187
1001 pt -17.48321 10.39515 11.86562 Infinity 0.715115 Infinity
8188
1002 pt -14.97900 12.17781 12.14460 Infinity 0.748204 Infinity
8189
1003 pt -11.12436 8.79082 10.23755 -Infinity 0.978447 -Infinity
8190
1004 pt -11.71704 8.82647 8.44353 Infinity 1.026208 Infinity
8191
1005 pt -11.29065 7.03736 10.92225 Infinity 0.971056 Infinity
8192
1006 pt -21.45665 14.31251 12.50300 -Infinity 0.589519 -Infinity
8193
1007 pt -21.54124 15.99498 13.35929 Infinity 0.564546 Infinity
8194
1008 pt -19.64975 13.79705 12.30187 Infinity 0.628431 Infinity
8195
1009 pt -16.10635 17.16408 16.42907 -Infinity 0.590747 -Infinity
8196
1010 pt -14.88181 15.81367 15.93113 Infinity 0.630016 Infinity
8197
1011 pt -15.33968 18.86099 16.10697 Infinity 0.584944 Infinity
8198
1012 pt -7.99361 20.83359 10.28607 -Infinity 0.727875 -Infinity
8199
1013 pt -9.74677 20.75076 9.58561 Infinity 0.719791 Infinity
8200
1014 pt -6.77772 21.23818 8.89719 Infinity 0.753380 Infinity
8201
1015 pt -0.48096 9.94791 16.49139 -Infinity 0.855232 -Infinity
8202
1016 pt -1.63710 8.87621 15.44933 Infinity 0.918713 Infinity
8203
1017 pt -1.23476 11.66781 16.70306 Infinity 0.817759 Infinity
8204
1018 pt 3.68083 8.66136 10.59624 -Infinity 1.192626 -Infinity
8205
1019 pt 3.34574 7.55122 12.08834 Infinity 1.118740 Infinity
8206
1020 pt 4.73112 10.13822 11.13182 Infinity 1.079625 Infinity
8207
1021 pt -1.30126 18.55495 10.05209 -Infinity 0.856147 -Infinity
8208
1022 pt -1.82907 17.95012 8.34134 Infinity 0.927507 Infinity
8209
1023 pt -2.56971 17.99795 11.33733 Infinity 0.835357 Infinity
8210
1024 pt -2.85353 14.51687 16.98701 -Infinity 0.752537 -Infinity
8211
1025 pt -3.94522 15.24942 15.62957 Infinity 0.773639 Infinity
8212
1026 pt -3.85801 14.34022 18.57788 Infinity 0.705818 Infinity
8213
1027 pt -3.24108 20.38190 17.67302 -Infinity 0.631646 -Infinity
8214
1028 pt -3.66434 19.21286 16.24991 Infinity 0.679173 Infinity
8215
1029 pt -4.67241 21.58456 17.94861 Infinity 0.603153 Infinity
8216
1030 pt -5.50455 17.17536 13.19698 -Infinity 0.786231 -Infinity
8217
1031 pt -6.44580 15.59299 12.77128 Infinity 0.829617 Infinity
8218
1032 pt -6.37053 18.65687 12.40560 Infinity 0.759354 Infinity
8219
1033 pt -0.02928 6.98847 7.01504 -Infinity 1.807164 -Infinity
8220
1034 pt 1.14921 7.71713 8.30007 Infinity 1.535449 Infinity
8221
1035 pt -1.77510 6.90804 7.73388 Infinity 1.672742 Infinity
8222
1036 pt 6.77380 11.90336 13.32150 -Infinity 0.881407 -Infinity
8223
1037 pt 5.80190 11.93368 14.94186 Infinity 0.835914 Infinity
8224
1038 pt 7.65536 13.55782 13.08347 Infinity 0.835890 Infinity
8225
1039 pt 5.41846 14.45460 19.72892 -Infinity 0.660652 -Infinity
8226
1040 pt 4.29086 15.23998 18.43171 Infinity 0.688629 Infinity
8227
1041 pt 7.21709 14.89358 19.35037 Infinity 0.650469 Infinity
8228
1042 pt 2.49852 10.30867 20.89691 -Infinity 0.689906 -Infinity
8229
1043 pt 3.64089 11.79064 20.63267 Infinity 0.678252 Infinity
8230
1044 pt 1.29433 10.17381 19.44681 Infinity 0.739068 Infinity
8231
1045 pt 2.09369 16.12590 16.25672 -Infinity 0.741991 -Infinity
8232
1046 pt 2.10746 16.98509 14.57366 Infinity 0.769999 Infinity
8233
1047 pt 0.33336 15.57734 16.67071 Infinity 0.745894 Infinity
8234
1048 pt 14.28636 10.91693 9.52725 -Infinity 0.816702 -Infinity
8235
1049 pt 13.02182 9.86389 10.45628 Infinity 0.849786 Infinity
8236
1050 pt 16.02890 10.46094 10.09882 Infinity 0.758942 Infinity
8237
1051 pt 14.29891 13.47440 16.69264 -Infinity 0.636282 -Infinity
8238
1052 pt 15.92986 13.60122 17.63867 Infinity 0.596149 Infinity
8239
1053 pt 14.47162 14.33509 15.01918 Infinity 0.654116 Infinity
8240
1054 pt 17.03841 19.26049 9.68537 -Infinity 0.619132 -Infinity
8241
1055 pt 18.47328 20.07906 10.60307 Infinity 0.577646 Infinity
8242
1056 pt 15.79862 20.58103 9.14669 Infinity 0.623876 Infinity
8243
1057 pt 9.26629 16.36015 13.02091 -Infinity 0.748481 -Infinity
8244
1058 pt 11.08690 16.06849 12.60693 Infinity 0.732783 Infinity
8245
1059 pt 8.92721 18.21747 13.10127 Infinity 0.712958 Infinity
8246
1060 pt 10.65499 21.04993 19.19407 -Infinity 0.551988 -Infinity
8247
1061 pt 10.86225 21.99374 17.57009 Infinity 0.560327 Infinity
8248
1062 pt 8.92985 21.37171 19.89510 Infinity 0.550396 Infinity
8249
1063 pt 15.69518 8.39282 16.71266 -Infinity 0.652112 -Infinity
8250
1064 pt 17.58457 8.39925 16.74759 Infinity 0.619036 Infinity
8251
1065 pt 15.05865 10.17183 16.68114 Infinity 0.652774 Infinity
8252
1066 pt 19.27247 9.98675 10.68185 -Infinity 0.670491 -Infinity
8253
1067 pt 19.84431 11.65570 11.35909 Infinity 0.636009 Infinity
8254
1068 pt 20.29168 8.60373 11.46893 Infinity 0.645493 Infinity
8255
1069 pt 14.24263 15.54847 11.91660 -Infinity 0.696040 -Infinity
8256
1070 pt 14.42126 13.96232 10.90503 Infinity 0.735746 Infinity
8257
1071 pt 15.37543 16.88245 11.20363 Infinity 0.665164 Infinity
8258
1072 pt 18.29873 13.25484 20.01469 -Infinity 0.535795 -Infinity
8259
1073 pt 18.56628 15.10160 20.31301 Infinity 0.518134 Infinity
8260
1074 pt 19.95321 12.34987 20.13635 Infinity 0.520418 Infinity
8261
1075 pt 20.88556 8.61600 16.89174 -Infinity 0.563702 -Infinity
8262
1076 pt 21.94347 7.99194 15.45562 Infinity 0.566919 Infinity
8263
1077 pt 21.96533 9.60165 18.08909 Infinity 0.530872 Infinity
8264
1078 pt 10.59268 15.77109 19.59744 -Infinity 0.605145 -Infinity
8265
1079 pt 10.73957 17.64397 19.39293 Infinity 0.586993 Infinity
8266
1080 pt 11.68368 14.90916 18.31766 Infinity 0.626223 Infinity
8267
1081 pt 10.49792 8.34354 11.76117 -Infinity 0.911485 -Infinity
8268
1082 pt 11.20181 7.01537 12.90641 Infinity 0.862389 Infinity
8269
1083 pt 9.29403 9.43498 12.72579 Infinity 0.893669 Infinity
8275
1 a.u. = 0.171524 10**(-8) dyn/esu
8277
Atom X Y Z Electric field (a.u.)
8279
------------------------------------------------------------------------------------------------
8280
------------------------------------------------------------------------
8282
------------------------------------------------------------------------
8283
quantum energy -114.253101328 (-.299972E+06 kjoule/mol)
8284
quantum energy adjusted -114.253101328 (-.299972E+06 kjoule/mol)
8285
quantum energy internal -114.355685114 (-.300241E+06 kjoule/mol)
8286
Bq-nuclear energy 0.102583786 (0.269334E+03 kjoule/mol)
8287
Bq-electron energy 0.000000000 (0.000000E+00 kjoule/mol)
8288
classical energy -7.460703046 (-.195881E+05 kjoule/mol)
8289
total qmmm energy -121.713804375 (-.319560E+06 kjoule/mol)
8290
------------------------------------------------------------------------
8292
reducing step 5.0000000000000001E-3 2.86179533597540677E-4 1.00000000000000008E-5
8293
Total number of active Bq charges 1083
8294
frozen_density,esp T T
8295
disabling frozen_density,esp due to active qm atoms
8301
ao basis = "ao basis"
8308
input vectors = /home/d3p975/codes/nwchem-svn/nwchem/QA/tests/tce_qmmm_ccsd_opt/perm/fmd.movecs
8309
output vectors = /home/d3p975/codes/nwchem-svn/nwchem/QA/tests/tce_qmmm_ccsd_opt/perm/fmd.movecs
8314
Summary of "ao basis" -> "ao basis" (cartesian)
8315
------------------------------------------------------------------------------
8316
Tag Description Shells Functions and Types
8317
---------------- ------------------------------ ------ ---------------------
8318
O cc-pVDZ 6 15 3s2p1d
8319
C cc-pVDZ 6 15 3s2p1d
8324
Forming initial guess at 410.5s
8327
Loading old vectors from job with title :
8331
Nuclear repulsion energy = 31.081196321772381
8332
Bq nuclear interaction energy = 0.10288669183798935
8334
Starting SCF solution at 410.6s
8338
----------------------------------------------
8339
Quadratically convergent ROHF
8341
Convergence threshold : 1.000E-10
8342
Maximum no. of iterations : 200
8343
Final Fock-matrix accuracy: 0.000E+00
8344
----------------------------------------------
8347
#quartets = 1.471E+04 #integrals = 3.766E+05 #direct = 0.0% #cached =100.0%
8350
Integral file = /scratch/fmd.aoints.00
8351
Record size in doubles = 65536 No. of integs per rec = 43688
8352
Max. records in memory = 2 Max. records in file = 225827
8353
No. of bits per label = 8 No. of bits per value = 64
8356
File balance: exchanges= 0 moved= 0 time= 0.0
8358
Nuclear repulsion energy = 31.081196321772381
8359
Bq nuclear interaction energy = 0.10288669183798935
8361
iter energy gnorm gmax time
8362
----- ------------------- --------- --------- --------
8363
1 -113.9148850535 4.58E-03 1.26E-03 366.8
8364
Nuclear repulsion energy = 31.081196321772381
8365
Bq nuclear interaction energy = 0.10288669183798935
8366
2 -113.9148866555 1.95E-05 1.07E-05 367.0
8367
Nuclear repulsion energy = 31.081196321772381
8368
Bq nuclear interaction energy = 0.10288669183798935
8369
3 -113.9148866556 3.99E-10 1.57E-10 367.4
8370
Nuclear repulsion energy = 31.081196321772381
8371
Bq nuclear interaction energy = 0.10288669183798935
8372
4 -113.9148866556 3.55E-12 1.84E-12 367.6
8373
Nuclear repulsion energy = 31.081196321772381
8374
Bq nuclear interaction energy = 0.10288669183798935
8380
Total SCF energy = -113.914886655638
8381
One-electron energy = -217.282868141854
8382
Two-electron energy = 72.183898472606
8383
Nuclear repulsion energy = 31.184083013610
8385
Time for solution = 0.9s
8411
ROHF Final Molecular Orbital Analysis
8412
-------------------------------------
8414
Vector 2 Occ=2.000000E+00 E=-1.134240E+01
8415
MO Center= 2.3E-01, 2.2E+00, -5.9E-01, r^2= 2.7E-02
8416
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
8417
----- ------------ --------------- ----- ------------ ---------------
8420
Vector 3 Occ=2.000000E+00 E=-1.396905E+00
8421
MO Center= -5.8E-01, 1.8E+00, -5.6E-01, r^2= 5.0E-01
8422
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
8423
----- ------------ --------------- ----- ------------ ---------------
8424
2 0.409120 1 O s 3 0.387844 1 O s
8425
17 0.207705 2 C s 19 -0.164271 2 C px
8427
Vector 4 Occ=2.000000E+00 E=-8.540375E-01
8428
MO Center= 1.8E-01, 2.1E+00, -5.8E-01, r^2= 1.4E+00
8429
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
8430
----- ------------ --------------- ----- ------------ ---------------
8431
17 0.355038 2 C s 3 -0.260990 1 O s
8432
18 0.234273 2 C s 31 0.228225 3 H s
8433
36 0.225576 4 H s 2 -0.192231 1 O s
8436
Vector 5 Occ=2.000000E+00 E=-6.773299E-01
8437
MO Center= -2.2E-02, 2.0E+00, -5.8E-01, r^2= 1.3E+00
8438
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
8439
----- ------------ --------------- ----- ------------ ---------------
8440
21 0.368550 2 C pz 6 0.334547 1 O pz
8441
36 -0.235590 4 H s 31 0.232684 3 H s
8444
Vector 6 Occ=2.000000E+00 E=-6.508367E-01
8445
MO Center= -5.0E-01, 1.8E+00, -5.5E-01, r^2= 1.3E+00
8446
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
8447
----- ------------ --------------- ----- ------------ ---------------
8448
4 0.436979 1 O px 19 -0.350817 2 C px
8449
7 0.289803 1 O px 3 -0.255104 1 O s
8450
5 0.203671 1 O py 20 -0.170964 2 C py
8452
Vector 7 Occ=2.000000E+00 E=-5.273510E-01
8453
MO Center= -5.5E-01, 1.8E+00, -5.6E-01, r^2= 9.2E-01
8454
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
8455
----- ------------ --------------- ----- ------------ ---------------
8456
5 0.431449 1 O py 8 0.312796 1 O py
8457
20 0.262978 2 C py 4 -0.192763 1 O px
8458
6 0.182757 1 O pz 23 0.150330 2 C py
8460
Vector 8 Occ=2.000000E+00 E=-4.360974E-01
8461
MO Center= -2.6E-01, 1.9E+00, -5.7E-01, r^2= 1.6E+00
8462
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
8463
----- ------------ --------------- ----- ------------ ---------------
8464
6 0.485749 1 O pz 9 0.407990 1 O pz
8465
31 -0.255996 3 H s 36 0.255275 4 H s
8466
21 -0.216636 2 C pz 5 -0.164176 1 O py
8468
Vector 9 Occ=0.000000E+00 E= 1.473347E-01
8469
MO Center= 4.2E-02, 2.1E+00, -5.8E-01, r^2= 1.7E+00
8470
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
8471
----- ------------ --------------- ----- ------------ ---------------
8472
23 0.584977 2 C py 8 -0.417963 1 O py
8473
20 0.370132 2 C py 5 -0.300412 1 O py
8474
22 -0.276486 2 C px 24 0.250910 2 C pz
8475
7 0.196189 1 O px 9 -0.176344 1 O pz
8476
19 -0.173695 2 C px 21 0.157198 2 C pz
8478
Vector 10 Occ=0.000000E+00 E= 2.235000E-01
8479
MO Center= 9.4E-01, 2.4E+00, -4.5E-01, r^2= 4.0E+00
8480
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
8481
----- ------------ --------------- ----- ------------ ---------------
8482
18 1.913715 2 C s 32 -1.501678 3 H s
8483
37 -1.238619 4 H s 22 0.606190 2 C px
8484
23 0.258475 2 C py 19 0.166088 2 C px
8486
Vector 11 Occ=0.000000E+00 E= 2.913087E-01
8487
MO Center= 9.8E-01, 2.6E+00, -7.9E-01, r^2= 4.1E+00
8488
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
8489
----- ------------ --------------- ----- ------------ ---------------
8490
37 1.931520 4 H s 32 -1.749279 3 H s
8491
24 1.293338 2 C pz 23 -0.449461 2 C py
8492
21 0.340687 2 C pz 9 -0.273805 1 O pz
8495
Vector 12 Occ=0.000000E+00 E= 3.720417E-01
8496
MO Center= 1.1E-01, 2.1E+00, -5.9E-01, r^2= 3.0E+00
8497
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
8498
----- ------------ --------------- ----- ------------ ---------------
8499
3 1.817058 1 O s 22 1.557234 2 C px
8500
18 -1.387706 2 C s 23 0.740473 2 C py
8501
7 0.621452 1 O px 8 0.297373 1 O py
8503
Vector 13 Occ=0.000000E+00 E= 6.837197E-01
8504
MO Center= 6.7E-01, 2.5E+00, -5.6E-01, r^2= 1.7E+00
8505
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
8506
----- ------------ --------------- ----- ------------ ---------------
8507
18 1.050324 2 C s 31 -0.764739 3 H s
8508
36 -0.747495 4 H s 30 -0.297061 2 C dzz
8509
22 0.289033 2 C px 29 0.282627 2 C dyz
8510
23 0.280243 2 C py 17 -0.215001 2 C s
8511
32 0.197565 3 H s 16 -0.196266 2 C s
8513
Vector 14 Occ=0.000000E+00 E= 6.959390E-01
8514
MO Center= 3.1E-01, 2.1E+00, -6.3E-01, r^2= 1.9E+00
8515
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
8516
----- ------------ --------------- ----- ------------ ---------------
8517
23 0.891965 2 C py 20 -0.865613 2 C py
8518
22 -0.458726 2 C px 19 0.400852 2 C px
8519
21 -0.361193 2 C pz 24 0.357966 2 C pz
8521
Vector 15 Occ=0.000000E+00 E= 7.565085E-01
8522
MO Center= 5.0E-02, 2.1E+00, -5.9E-01, r^2= 2.3E+00
8523
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
8524
----- ------------ --------------- ----- ------------ ---------------
8525
24 1.936971 2 C pz 36 0.703368 4 H s
8526
31 -0.690887 3 H s 32 -0.628493 3 H s
8527
37 0.627183 4 H s 23 -0.622787 2 C py
8528
22 0.376902 2 C px 9 -0.325644 1 O pz
8529
6 -0.297146 1 O pz 21 -0.280514 2 C pz
8531
Vector 16 Occ=0.000000E+00 E= 8.354685E-01
8532
MO Center= 5.5E-01, 2.3E+00, -5.8E-01, r^2= 2.5E+00
8533
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
8534
----- ------------ --------------- ----- ------------ ---------------
8535
24 1.498662 2 C pz 32 -1.498571 3 H s
8536
37 1.448890 4 H s 21 -0.762613 2 C pz
8537
27 0.524786 2 C dxz 23 -0.478472 2 C py
8538
36 -0.367113 4 H s 31 0.354172 3 H s
8539
22 0.324943 2 C px 29 0.266200 2 C dyz
8541
Vector 17 Occ=0.000000E+00 E= 8.954867E-01
8542
MO Center= -1.8E-02, 2.0E+00, -5.8E-01, r^2= 1.5E+00
8543
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
8544
----- ------------ --------------- ----- ------------ ---------------
8545
22 0.955365 2 C px 18 0.950240 2 C s
8546
19 -0.905387 2 C px 37 -0.542889 4 H s
8547
23 0.479159 2 C py 32 -0.479143 3 H s
8548
20 -0.445775 2 C py 7 -0.425780 1 O px
8549
26 -0.307696 2 C dxy 4 -0.264232 1 O px
8551
Vector 18 Occ=0.000000E+00 E= 9.600340E-01
8552
MO Center= 5.7E-01, 2.3E+00, -6.3E-01, r^2= 2.7E+00
8553
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
8554
----- ------------ --------------- ----- ------------ ---------------
8555
18 4.064679 2 C s 17 -1.677749 2 C s
8556
37 -1.311451 4 H s 32 -1.251752 3 H s
8557
16 -0.786601 2 C s 22 0.470207 2 C px
8558
3 -0.460593 1 O s 28 -0.288776 2 C dyy
8559
30 -0.242922 2 C dzz 23 0.233319 2 C py
8564
x = -0.59738073 y = 3.58545518 z = -1.07123996
8566
moments of inertia (a.u.)
8568
15.127417473541 -18.050129572296 0.488782905439
8569
-18.050129572296 44.031755829344 2.592657511604
8570
0.488782905439 2.592657511604 47.859957899128
8572
Mulliken analysis of the total density
8573
--------------------------------------
8575
Atom Charge Shell Charges
8576
----------- ------ -------------------------------------------------------
8577
1 O 8 8.47 2.00 0.83 0.92 2.79 1.89 0.02
8578
2 C 6 5.69 2.00 0.70 0.44 1.83 0.59 0.12
8579
3 H 1 0.93 0.75 0.15 0.03
8580
4 H 1 0.92 0.75 0.14 0.03
8582
Multipole analysis of the density wrt the origin
8583
------------------------------------------------
8585
L x y z total open nuclear
8586
- - - - ----- ---- -------
8587
0 0 0 0 0.000000 0.000000 16.000000
8589
1 1 0 0 1.396344 0.000000 -7.553883
8590
1 0 1 0 0.651131 0.000000 58.337370
8591
1 0 0 1 -0.074961 0.000000 -17.222664
8593
2 2 0 0 -10.030936 0.000000 26.677626
8594
2 1 1 0 4.657202 0.000000 -16.851232
8595
2 1 0 1 -1.463627 0.000000 8.277577
8596
2 0 2 0 -3.692204 0.000000 218.626591
8597
2 0 1 1 -1.061569 0.000000 -65.063391
8598
2 0 0 2 -8.051465 0.000000 24.117874
8600
Nuclear repulsion energy = 31.081196321772381
8601
Bq nuclear interaction energy = 0.10288669183798935
8603
Parallel integral file used 27 records with 0 large values
8605
NWChem Extensible Many-Electron Theory Module
8606
---------------------------------------------
8608
======================================================
8609
This portion of the program was automatically
8610
generated by a Tensor Contraction Engine (TCE).
8611
The development of this portion of the program
8612
and TCE was supported by US Department of Energy,
8613
Office of Science, Office of Basic Energy Science.
8614
TCE is a product of Battelle and PNNL.
8615
Please cite: S.Hirata, J.Phys.Chem.A 107, 9887 (2003).
8616
======================================================
8620
Number of processors : 27
8621
Wavefunction type : Restricted Hartree-Fock
8622
No. of electrons : 16
8625
No. of orbitals : 80
8628
Alpha frozen cores : 0
8629
Beta frozen cores : 0
8630
Alpha frozen virtuals : 0
8631
Beta frozen virtuals : 0
8632
Spin multiplicity : singlet
8633
Number of AO functions : 40
8634
Number of AO shells : 18
8635
Use of symmetry is : off
8636
Symmetry adaption is : off
8637
Schwarz screening : 0.00E+00
8639
Correlation Information
8640
-----------------------
8641
Calculation type : Coupled-cluster singles & doubles
8642
Perturbative correction : none
8643
Max iterations : 200
8644
Residual threshold : 0.10E-05
8645
T(0) DIIS level shift : 0.00E+00
8646
L(0) DIIS level shift : 0.00E+00
8647
T(1) DIIS level shift : 0.00E+00
8648
L(1) DIIS level shift : 0.00E+00
8649
T(R) DIIS level shift : 0.00E+00
8650
T(I) DIIS level shift : 0.00E+00
8651
CC-T/L Amplitude update : 5-th order DIIS
8652
I/O scheme : Global Array Library
8656
Available GA space size is 2654059007 doubles
8657
Available MA space size is 49130121 doubles
8659
Maximum block size supplied by input
8660
Maximum block size 12 doubles
8664
Block Spin Irrep Size Offset Alpha
8665
-------------------------------------------------
8666
1 alpha a 8 doubles 0 1
8667
2 beta a 8 doubles 8 1
8668
3 alpha a 10 doubles 16 3
8669
4 alpha a 11 doubles 26 4
8670
5 alpha a 11 doubles 37 5
8671
6 beta a 10 doubles 48 3
8672
7 beta a 11 doubles 58 4
8673
8 beta a 11 doubles 69 5
8675
Global array virtual files algorithm will be used
8677
Parallel file system coherency ......... OK
8679
#quartets = 1.471E+04 #integrals = 3.766E+05 #direct = 0.0% #cached =100.0%
8682
Integral file = /scratch/fmd.aoints.00
8683
Record size in doubles = 65536 No. of integs per rec = 43688
8684
Max. records in memory = 2 Max. records in file = 225827
8685
No. of bits per label = 8 No. of bits per value = 64
8688
File balance: exchanges= 0 moved= 0 time= 0.0
8691
Fock matrix recomputed
8692
1-e file size = 1600
8693
1-e file name = /scratch/fmd.f1
8694
1-e file handle = -993
8695
Cpu & wall time / sec 0.1 0.2
8697
2-e (intermediate) file size = 5769600
8698
2-e (intermediate) file name = /scratch/fmd.v2i
8699
Cpu & wall time / sec 0.1 0.1
8701
2-e file size = 3566009
8702
2-e file name = /scratch/fmd.v2
8703
2-e file handle = -991
8704
Cpu & wall time / sec 0.1 0.1
8707
t1 file name = /scratch/fmd.t1
8708
t1 file handle = -992
8709
Cpu & wall time / sec 0.0
8713
t2 file size = 109248
8714
t2 file name = /scratch/fmd.t2
8715
t2 file handle = -989
8716
Cpu & wall time / sec 0.0
8719
-----------------------------------------------------------------
8720
Iter Residuum Correlation Cpu Wall V2*C2
8721
-----------------------------------------------------------------
8722
1 0.1516192463932 -0.3226069407344 0.2 0.2 0.0
8723
2 0.0551699734991 -0.3255318938349 0.2 0.2 0.0
8724
3 0.0173360125298 -0.3359610714113 0.2 0.2 0.0
8725
4 0.0105012387181 -0.3365033311409 0.2 0.2 0.0
8726
5 0.0044565350359 -0.3377302134729 0.2 0.2 0.0
8727
MICROCYCLE DIIS UPDATE: 5 5
8728
6 0.0016681712207 -0.3381550429371 0.2 0.2 0.0
8729
7 0.0007020179666 -0.3382642315576 0.2 0.2 0.0
8730
8 0.0003938613955 -0.3382679062099 0.2 0.2 0.0
8731
9 0.0002195347439 -0.3382722407531 0.2 0.2 0.0
8732
10 0.0001314027401 -0.3382773181534 0.2 0.2 0.0
8733
MICROCYCLE DIIS UPDATE: 10 5
8734
11 0.0000237370801 -0.3382838508089 0.2 0.2 0.0
8735
12 0.0000132884724 -0.3382844023078 0.2 0.2 0.0
8736
13 0.0000090882625 -0.3382854021739 0.2 0.2 0.0
8737
14 0.0000068892730 -0.3382854546607 0.2 0.2 0.0
8738
15 0.0000052950684 -0.3382855741767 0.2 0.2 0.0
8739
MICROCYCLE DIIS UPDATE: 15 5
8740
16 0.0000011507368 -0.3382855649024 0.2 0.2 0.0
8741
17 0.0000005901880 -0.3382856544569 0.2 0.2 0.0
8742
-----------------------------------------------------------------
8743
Iterations converged
8744
CCSD correlation energy / hartree = -0.338285654456941
8745
CCSD total energy / hartree = -114.253172310094783
8747
Singles contributions
8749
Doubles contributions
8750
9a (alpha) 9a (beta ) --- 7a (alpha) 7a (beta ) -0.1170659634
8752
CCSD Lambda iterations
8753
--------------------------------------
8754
Iter Residuum Cpu Wall
8755
--------------------------------------
8756
1 1.6758128644607 0.4 0.6
8757
2 0.0292552457887 0.5 0.6
8758
3 0.0031658020687 0.4 0.6
8759
4 0.0003654241095 0.5 0.6
8760
5 0.0001059346306 0.5 0.6
8761
MICROCYCLE DIIS UPDATE: 5 5
8762
6 0.0000237524562 0.5 0.6
8763
7 0.0000045737024 0.4 0.6
8764
8 0.0000014672922 0.5 0.6
8765
9 0.0000004748649 0.5 0.6
8766
--------------------------------------
8767
Iterations converged
8770
--------------------------------------
8771
Iter Residuum Cpu Wall
8772
--------------------------------------
8773
1 0.0234607091921 0.0 0.0
8774
2 0.0076382264649 0.0 0.0
8775
3 0.0030483751167 0.0 0.0
8776
4 0.0027518720909 0.0 0.0
8777
5 0.0017123580971 0.0 0.0
8778
MICROCYCLE DIIS UPDATE: 5 5
8779
6 0.0003175094189 0.0 0.0
8780
7 0.0001712950766 0.0 0.0
8781
8 0.0000805675660 0.0 0.0
8782
9 0.0000684461997 0.0 0.0
8783
10 0.0000362005375 0.0 0.0
8784
MICROCYCLE DIIS UPDATE: 10 5
8785
11 0.0000045895324 0.0 0.0
8786
12 0.0000022827395 0.0 0.0
8787
13 0.0000011451438 0.0 0.0
8788
14 0.0000009616224 0.0 0.0
8789
--------------------------------------
8790
Iterations converged
8792
NWChem Gradients Module
8793
-----------------------
8797
wavefunction = TCE RHF CCSD
8801
ccsd ENERGY GRADIENTS
8803
atom coordinates gradient
8805
1 O -1.629435 3.087642 -1.027811 0.015557 0.003098 0.002460
8806
2 C 0.438506 4.084549 -1.115087 -0.002386 -0.001110 0.000312
8807
3 H 1.757373 4.022106 0.509343 -0.000460 0.000045 -0.000231
8808
4 H 1.093190 5.106833 -2.819003 -0.001041 0.000295 0.000508
8810
----------------------------------------
8811
| Time | 1-e(secs) | 2-e(secs) |
8812
----------------------------------------
8813
| CPU | 0.07 | 0.13 |
8814
----------------------------------------
8815
| WALL | 0.15 | 0.14 |
8816
----------------------------------------
8818
Parallel integral file used 27 records with 0 large values
8820
Bq nuclear interaction energy = 0.10288669183798935
8821
Calculating forces on classical charges
8822
---------------------------------------
8823
Total number of charges 1083
8824
NWChem Property Module
8825
----------------------
8829
---------------------------------------------
8830
Electrostatic potential/diamagnetic shielding
8831
---------------------------------------------
8833
1 a.u. = 9.07618 esu/cm ( or statvolts )
8834
Point X Y Z Total Potential(a.u.) Diamagnetic shielding(a.u.) External Bq potential
8835
1 pt -10.84723 -20.95211 -11.78153 -Infinity 0.557439 -Infinity
8836
2 pt -9.86952 -19.74683 -10.70337 Infinity 0.594221 Infinity
8837
3 pt -12.23974 -21.72301 -10.76286 Infinity 0.541858 Infinity
8838
4 pt -13.12438 -10.66225 -18.89849 -Infinity 0.613866 -Infinity
8839
5 pt -13.17488 -12.55126 -18.91053 Infinity 0.588746 Infinity
8840
6 pt -11.56410 -10.06714 -19.78303 Infinity 0.623491 Infinity
8841
7 pt -16.79700 -8.14741 -16.53410 -Infinity 0.632327 -Infinity
8842
8 pt -17.27887 -9.23447 -15.06537 Infinity 0.632757 Infinity
8843
9 pt -15.30722 -8.90383 -17.41697 Infinity 0.632057 Infinity
8844
10 pt -17.30900 -10.90330 -12.00968 -Infinity 0.648082 -Infinity
8845
11 pt -18.50875 -9.94795 -10.90562 Infinity 0.652590 Infinity
8846
12 pt -16.21983 -12.01830 -10.94125 Infinity 0.661175 Infinity
8847
13 pt -12.84228 -7.70718 -11.71755 -Infinity 0.808842 -Infinity
8848
14 pt -11.59319 -8.74074 -10.74668 Infinity 0.835209 Infinity
8849
15 pt -14.34453 -8.77086 -12.14525 Infinity 0.742089 Infinity
8850
16 pt -16.85209 -17.68013 -11.06737 -Infinity 0.559547 -Infinity
8851
17 pt -15.76935 -16.30362 -10.35747 Infinity 0.599165 Infinity
8852
18 pt -18.60012 -17.53385 -10.36446 Infinity 0.546338 Infinity
8853
19 pt -7.79408 -18.14793 -8.64784 -Infinity 0.662489 -Infinity
8854
20 pt -7.25180 -19.87415 -8.10272 Infinity 0.629504 Infinity
8855
21 pt -7.82011 -16.99311 -7.15225 Infinity 0.705625 Infinity
8856
22 pt -14.30797 -19.61048 -15.39046 -Infinity 0.523816 -Infinity
8857
23 pt -12.76613 -20.03960 -14.38565 Infinity 0.537694 Infinity
8858
24 pt -15.61433 -18.85791 -14.25110 Infinity 0.531963 Infinity
8859
25 pt -9.64835 -10.74058 -8.91992 -Infinity 0.855901 -Infinity
8860
26 pt -9.72124 -10.58863 -7.03773 Infinity 0.894182 Infinity
8861
27 pt -7.84573 -10.70881 -9.48615 Infinity 0.882529 Infinity
8862
28 pt -14.24337 -13.62736 -8.86929 -Infinity 0.686003 -Infinity
8863
29 pt -14.63668 -13.92474 -7.04503 Infinity 0.688580 Infinity
8864
30 pt -12.50959 -12.89287 -9.02934 Infinity 0.732221 Infinity
8865
31 pt 4.17228 -20.91809 -8.89506 -Infinity 0.610424 -Infinity
8866
32 pt 5.42290 -22.28336 -8.51687 Infinity 0.579034 Infinity
8867
33 pt 3.29170 -21.30218 -10.52236 Infinity 0.593600 Infinity
8868
34 pt 4.77658 -17.49369 -15.08387 -Infinity 0.617175 -Infinity
8869
35 pt 6.09918 -17.11452 -13.78849 Infinity 0.633686 Infinity
8870
36 pt 4.17894 -19.27398 -14.87300 Infinity 0.588781 Infinity
8871
37 pt -4.46369 -10.02340 -10.08077 -Infinity 0.951316 -Infinity
8872
38 pt -3.35379 -11.34455 -10.85134 Infinity 0.883430 Infinity
8873
39 pt -3.47824 -9.03699 -8.80526 Infinity 1.057352 Infinity
8874
40 pt -1.01904 -20.36332 -12.13307 -Infinity 0.605320 -Infinity
8875
41 pt -1.27334 -21.50241 -13.61929 Infinity 0.569265 Infinity
8876
42 pt -1.11253 -21.37481 -10.53958 Infinity 0.598150 Infinity
8877
43 pt -0.08706 -17.77600 -20.87782 -Infinity 0.548322 -Infinity
8878
44 pt -0.21100 -18.93201 -19.38807 Infinity 0.550308 Infinity
8879
45 pt 0.74838 -18.68107 -22.31098 Infinity 0.518736 Infinity
8880
46 pt 4.93318 -8.49331 -13.92385 -Infinity 0.863025 -Infinity
8881
47 pt 3.82297 -9.85489 -14.61997 Infinity 0.814444 Infinity
8882
48 pt 4.25574 -6.80451 -14.43383 Infinity 0.905826 Infinity
8883
49 pt 7.03830 -16.37439 -19.51717 -Infinity 0.565965 -Infinity
8884
50 pt 6.72086 -17.79086 -20.72711 Infinity 0.533570 Infinity
8885
51 pt 6.03640 -16.65552 -17.93976 Infinity 0.587922 Infinity
8886
52 pt -4.71585 -16.93544 -12.62987 -Infinity 0.667920 -Infinity
8887
53 pt -3.37884 -18.26962 -12.57118 Infinity 0.642585 Infinity
8888
54 pt -5.96761 -17.23532 -11.24631 Infinity 0.671415 Infinity
8889
55 pt -4.53574 -11.35453 -20.77142 -Infinity 0.637954 -Infinity
8890
56 pt -4.98152 -12.25799 -19.17264 Infinity 0.653156 Infinity
8891
57 pt -3.82523 -12.58686 -22.01546 Infinity 0.599231 Infinity
8892
58 pt -0.95777 -13.55459 -11.75492 -Infinity 0.789875 -Infinity
8893
59 pt 0.47152 -14.29955 -10.76839 Infinity 0.783126 Infinity
8894
60 pt -2.27346 -14.87721 -12.05608 Infinity 0.740725 Infinity
8895
61 pt 2.07903 -12.46044 -15.73863 -Infinity 0.728691 -Infinity
8896
62 pt 2.94454 -14.11618 -16.02229 Infinity 0.681103 Infinity
8897
63 pt 0.77925 -12.65246 -14.38040 Infinity 0.758426 Infinity
8898
64 pt -6.00168 -13.76510 -16.51301 -Infinity 0.669714 -Infinity
8899
65 pt -7.05975 -12.50435 -15.58453 Infinity 0.706327 Infinity
8900
66 pt -5.38351 -15.08104 -15.30585 Infinity 0.666606 Infinity
8901
67 pt 7.22250 -11.46524 -21.36667 -Infinity 0.604131 -Infinity
8902
68 pt 7.28991 -13.27509 -20.82725 Infinity 0.588657 Infinity
8903
69 pt 5.42109 -10.94092 -21.59272 Infinity 0.617982 Infinity
8904
70 pt 3.25644 -15.52296 -9.20437 -Infinity 0.755410 -Infinity
8905
71 pt 3.17872 -17.38273 -8.87838 Infinity 0.703399 Infinity
8906
72 pt 4.99109 -15.05733 -9.79192 Infinity 0.748216 Infinity
8907
73 pt 0.15316 -9.36005 -19.53032 -Infinity 0.707767 -Infinity
8908
74 pt -1.61584 -9.88586 -19.93682 Infinity 0.688143 Infinity
8909
75 pt 0.85440 -10.48976 -18.18753 Infinity 0.718843 Infinity
8910
76 pt -0.87106 -7.57184 -7.14321 -Infinity 1.252117 -Infinity
8911
77 pt 0.40403 -6.36171 -7.83661 Infinity 1.316173 Infinity
8912
78 pt 0.00400 -9.13612 -6.54457 Infinity 1.148155 Infinity
8913
79 pt 8.90600 -16.16124 -12.07938 -Infinity 0.651229 -Infinity
8914
80 pt 10.06344 -16.80112 -13.42918 Infinity 0.611735 Infinity
8915
81 pt 9.41685 -16.89019 -10.41243 Infinity 0.648351 Infinity
8916
82 pt 15.56920 -12.16175 -16.15762 -Infinity 0.589080 -Infinity
8917
83 pt 13.87584 -11.50918 -15.63060 Infinity 0.627423 Infinity
8918
84 pt 15.38852 -13.18071 -17.73881 Infinity 0.560318 Infinity
8919
85 pt 10.46892 -9.04914 -18.18013 -Infinity 0.666637 -Infinity
8920
86 pt 10.20627 -9.86865 -16.49773 Infinity 0.690369 Infinity
8921
87 pt 9.37490 -9.89183 -19.47011 Infinity 0.642018 Infinity
8922
88 pt 11.63257 -16.92694 -16.83798 -Infinity 0.558472 -Infinity
8923
89 pt 12.95385 -16.38647 -18.07620 Infinity 0.541418 Infinity
8924
90 pt 9.94405 -16.94844 -17.68622 Infinity 0.561877 Infinity
8925
91 pt 9.45740 -11.17969 -13.70337 -Infinity 0.729980 -Infinity
8926
92 pt 7.78461 -10.30609 -13.60497 Infinity 0.778668 Infinity
8927
93 pt 9.29338 -12.93519 -13.02339 Infinity 0.704673 Infinity
8928
94 pt 14.57355 -7.01192 -9.89833 -Infinity 0.780272 -Infinity
8929
95 pt 13.92521 -8.75876 -9.58323 Infinity 0.765973 Infinity
8930
96 pt 13.16653 -5.92159 -10.53278 Infinity 0.832291 Infinity
8931
97 pt 14.52064 -14.46186 -8.29745 -Infinity 0.649020 -Infinity
8932
98 pt 14.24139 -13.15407 -6.96224 Infinity 0.690927 Infinity
8933
99 pt 13.17906 -15.78692 -8.17316 Infinity 0.644060 Infinity
8934
100 pt 15.52354 -19.18549 -13.76143 -Infinity 0.521584 -Infinity
8935
101 pt 16.42372 -17.59038 -13.29627 Infinity 0.536664 Infinity
8936
102 pt 14.11821 -18.79000 -14.96130 Infinity 0.529853 Infinity
8937
103 pt 17.80977 -14.69125 -12.22442 -Infinity 0.566406 -Infinity
8938
104 pt 16.67756 -14.52174 -10.72095 Infinity 0.596159 Infinity
8939
105 pt 17.13727 -13.63877 -13.64256 Infinity 0.576625 Infinity
8940
106 pt -17.30082 3.37272 -20.58379 -Infinity 0.622201 -Infinity
8941
107 pt -16.62411 2.25013 -19.22257 Infinity 0.659022 Infinity
8942
108 pt -16.62162 2.81551 -22.25689 Infinity 0.601403 Infinity
8943
109 pt -7.95546 -4.07310 -19.46215 -Infinity 0.752011 -Infinity
8944
110 pt -6.18604 -3.60044 -18.99653 Infinity 0.794175 Infinity
8945
111 pt -9.00309 -4.21666 -17.89597 Infinity 0.784390 Infinity
8946
112 pt -10.24996 -4.43805 -14.87329 -Infinity 0.856368 -Infinity
8947
113 pt -11.59764 -5.53862 -14.13604 Infinity 0.825367 Infinity
8948
114 pt -8.61821 -4.74933 -13.97242 Infinity 0.921735 Infinity
8949
115 pt -12.87211 5.50573 -13.37251 -Infinity 0.913684 -Infinity
8950
116 pt -11.97011 3.85524 -13.55511 Infinity 0.945845 Infinity
8951
117 pt -14.43297 5.26043 -12.33589 Infinity 0.891767 Infinity
8952
118 pt -13.27300 -3.61431 -8.55502 -Infinity 0.977128 -Infinity
8953
119 pt -13.17248 -4.99409 -9.84234 Infinity 0.910769 Infinity
8954
120 pt -11.68926 -2.58478 -8.60862 Infinity 1.084788 Infinity
8955
121 pt -15.46691 0.10533 -17.21921 -Infinity 0.719114 -Infinity
8956
122 pt -14.68198 -0.01143 -15.50418 Infinity 0.780269 Infinity
8957
123 pt -16.81965 -1.20381 -17.38443 Infinity 0.680222 Infinity
8958
124 pt -8.46724 -1.50312 -9.49303 -Infinity 1.269270 -Infinity
8959
125 pt -7.00353 -0.32041 -9.32047 Infinity 1.432752 Infinity
8960
126 pt -7.86072 -3.16489 -10.15767 Infinity 1.188181 Infinity
8961
127 pt -10.80315 2.83242 -18.58695 -Infinity 0.787390 -Infinity
8962
128 pt -12.46315 1.98574 -18.90099 Infinity 0.743891 Infinity
8963
129 pt -10.22097 2.44783 -16.83075 Infinity 0.863245 Infinity
8964
130 pt -18.93767 -4.42328 -13.32446 -Infinity 0.681539 -Infinity
8965
131 pt -20.71117 -4.99148 -13.00366 Infinity 0.642051 Infinity
8966
132 pt -18.12736 -5.56875 -14.59031 Infinity 0.667505 Infinity
8967
133 pt -21.03738 2.75880 -16.81044 -Infinity 0.619364 -Infinity
8968
134 pt -20.11607 3.10195 -18.42429 Infinity 0.611935 Infinity
8969
135 pt -21.15679 0.89284 -16.53657 Infinity 0.618063 Infinity
8970
136 pt -19.60611 -0.61446 -9.83694 -Infinity 0.749386 -Infinity
8971
137 pt -21.45535 -0.39883 -10.16081 Infinity 0.692538 Infinity
8972
138 pt -18.91449 -1.94310 -10.98908 Infinity 0.742315 Infinity
8973
139 pt -19.79806 -2.65692 -19.03406 -Infinity 0.591562 -Infinity
8974
140 pt -18.76458 -3.87742 -20.04073 Infinity 0.585430 Infinity
8975
141 pt -21.29644 -3.54917 -18.30617 Infinity 0.573783 Infinity
8976
142 pt -17.01942 3.91003 -10.52095 -Infinity 0.843878 -Infinity
8977
143 pt -18.20273 5.00410 -11.50778 Infinity 0.779284 Infinity
8978
144 pt -17.85582 2.25872 -10.14055 Infinity 0.818561 Infinity
8979
145 pt -10.73115 0.64349 -13.77880 -Infinity 0.967211 -Infinity
8980
146 pt -10.66491 -1.09412 -14.51865 Infinity 0.916174 Infinity
8981
147 pt -10.09648 0.59625 -11.99946 Infinity 1.080778 Infinity
8982
148 pt -19.96422 6.69705 -13.78262 -Infinity 0.683841 -Infinity
8983
149 pt -21.04515 8.20046 -14.16003 Infinity 0.646757 Infinity
8984
150 pt -20.57729 5.21305 -14.77910 Infinity 0.658248 Infinity
8985
151 pt 4.27637 3.52693 -17.96850 -Infinity 0.909324 -Infinity
8986
152 pt 4.91570 3.51724 -19.74676 Infinity 0.821406 Infinity
8987
153 pt 3.52387 5.21576 -17.57775 Infinity 0.935868 Infinity
8988
154 pt -6.17637 -5.55576 -12.02478 -Infinity 1.041851 -Infinity
8989
155 pt -5.82557 -7.30901 -11.41314 Infinity 1.003448 Infinity
8990
156 pt -4.59377 -4.52713 -11.93327 Infinity 1.128131 Infinity
8991
157 pt -4.11776 1.33633 -9.68470 -Infinity 1.661362 -Infinity
8992
158 pt -3.55470 2.67905 -10.88933 Infinity 1.544919 Infinity
8993
159 pt -4.23003 2.05877 -7.94214 Infinity 2.006836 Infinity
8994
160 pt 3.59835 0.72639 -11.24348 -Infinity 1.402084 -Infinity
8995
161 pt 5.14811 1.53393 -11.96264 Infinity 1.280184 Infinity
8996
162 pt 2.27553 2.04487 -10.95566 Infinity 1.530635 Infinity
8997
163 pt -2.21720 4.79679 -13.03881 -Infinity 1.312976 -Infinity
8998
164 pt -3.42341 6.18762 -13.46507 Infinity 1.228772 Infinity
8999
165 pt -0.66163 5.52897 -12.25449 Infinity 1.404783 Infinity
9000
166 pt 3.82594 -3.32827 -15.07554 -Infinity 0.982778 -Infinity
9001
167 pt 2.42123 -2.87039 -16.25376 Infinity 0.951244 Infinity
9002
168 pt 3.92595 -2.05099 -13.68643 Infinity 1.096850 Infinity
9003
169 pt -0.09198 1.19601 -16.39152 -Infinity 1.028454 -Infinity
9004
170 pt 1.54217 1.93466 -16.98734 Infinity 0.989076 Infinity
9005
171 pt -0.97587 2.43809 -15.27480 Infinity 1.118839 Infinity
9006
172 pt -1.95643 -2.89939 -11.69130 -Infinity 1.271343 -Infinity
9007
173 pt -0.31642 -3.32070 -10.85229 Infinity 1.327258 Infinity
9008
174 pt -2.61626 -1.26772 -11.00330 Infinity 1.415368 Infinity
9009
175 pt 2.61901 -3.73649 -8.93671 -Infinity 1.415078 -Infinity
9010
176 pt 3.02707 -2.04166 -9.66618 Infinity 1.458109 Infinity
9011
177 pt 4.17403 -4.81021 -8.92702 Infinity 1.277148 Infinity
9012
178 pt -3.13457 -2.75179 -17.46247 -Infinity 0.898640 -Infinity
9013
179 pt -2.18432 -1.14369 -17.17594 Infinity 0.946278 Infinity
9014
180 pt -3.14014 -3.77322 -15.87259 Infinity 0.953714 Infinity
9015
181 pt -2.37334 5.77746 -19.79278 -Infinity 0.843791 -Infinity
9016
182 pt -0.86922 6.26145 -18.75622 Infinity 0.893227 Infinity
9017
183 pt -3.65336 7.16640 -19.73417 Infinity 0.830009 Infinity
9018
184 pt 17.61824 2.77546 -20.84226 -Infinity 0.595788 -Infinity
9019
185 pt 17.37525 1.75656 -19.26941 Infinity 0.624930 Infinity
9020
186 pt 18.63192 1.78020 -22.08845 Infinity 0.561259 Infinity
9021
187 pt 8.87641 -4.30939 -16.48299 -Infinity 0.809719 -Infinity
9022
188 pt 9.17515 -6.03985 -17.18108 Infinity 0.755305 Infinity
9023
189 pt 7.02393 -4.04753 -16.21688 Infinity 0.859062 Infinity
9024
190 pt 18.69804 -5.45628 -12.56870 -Infinity 0.661421 -Infinity
9025
191 pt 18.43452 -5.72195 -14.42100 Infinity 0.639413 Infinity
9026
192 pt 17.29826 -6.28501 -11.60699 Infinity 0.696277 Infinity
9027
193 pt 6.85502 -6.63346 -9.49673 -Infinity 1.048844 -Infinity
9028
194 pt 8.36015 -5.61878 -10.02214 Infinity 1.019366 Infinity
9029
195 pt 6.14766 -7.53679 -10.99830 Infinity 0.974327 Infinity
9030
196 pt 7.28604 3.21660 -13.81095 -Infinity 1.068977 -Infinity
9031
197 pt 7.94023 4.98913 -13.77614 Infinity 1.043546 Infinity
9032
198 pt 6.28505 2.94439 -15.39050 Infinity 1.006499 Infinity
9033
199 pt 18.09301 -0.64831 -10.51919 -Infinity 0.750709 -Infinity
9034
200 pt 16.96808 0.45219 -11.56538 Infinity 0.774993 Infinity
9035
201 pt 18.10772 -2.39717 -11.23498 Infinity 0.724870 Infinity
9036
202 pt 16.49234 -0.69583 -17.13458 -Infinity 0.671970 -Infinity
9037
203 pt 14.82793 -0.98988 -17.97976 Infinity 0.686150 Infinity
9038
204 pt 17.49216 -2.29940 -17.13488 Infinity 0.643317 Infinity
9039
205 pt 18.34765 3.21854 -7.00218 -Infinity 0.809623 -Infinity
9040
206 pt 18.15801 1.76324 -8.19264 Infinity 0.797353 Infinity
9041
207 pt 17.55074 4.75768 -7.75523 Infinity 0.830116 Infinity
9042
208 pt 14.37969 -6.41967 -20.43669 -Infinity 0.604923 -Infinity
9043
209 pt 13.11036 -7.60418 -19.69049 Infinity 0.622633 Infinity
9044
210 pt 13.63110 -4.68897 -20.56066 Infinity 0.627206 Infinity
9045
211 pt 18.69237 -5.53017 -17.80981 -Infinity 0.590381 -Infinity
9046
212 pt 19.60324 -7.17957 -17.66539 Infinity 0.566201 Infinity
9047
213 pt 17.14990 -5.75269 -18.87861 Infinity 0.596804 Infinity
9048
214 pt 15.32868 2.62860 -13.27353 -Infinity 0.798895 -Infinity
9049
215 pt 15.60765 4.48031 -13.52732 Infinity 0.784720 Infinity
9050
216 pt 15.75370 1.70254 -14.86502 Infinity 0.746712 Infinity
9051
217 pt 12.13368 -1.76039 -19.54099 -Infinity 0.693986 -Infinity
9052
218 pt 11.31588 -0.49588 -20.68261 Infinity 0.686688 Infinity
9053
219 pt 10.83330 -2.50457 -18.38934 Infinity 0.739757 Infinity
9054
220 pt 10.79349 -4.03851 -11.69170 -Infinity 0.922143 -Infinity
9055
221 pt 10.24392 -4.17549 -13.49455 Infinity 0.877242 Infinity
9056
222 pt 10.91580 -2.21635 -11.20607 Infinity 0.975886 Infinity
9057
223 pt 10.94451 1.05123 -10.90197 -Infinity 1.043414 -Infinity
9058
224 pt 12.62005 1.70129 -11.48599 Infinity 0.947716 Infinity
9059
225 pt 9.57063 1.81774 -11.94886 Infinity 1.069267 Infinity
9060
226 pt -20.51216 13.56484 -11.32195 -Infinity 0.651618 -Infinity
9061
227 pt -21.63189 15.03297 -10.91964 Infinity 0.617084 Infinity
9062
228 pt -21.18444 12.65471 -12.83548 Infinity 0.629465 Infinity
9063
229 pt -10.46527 8.63277 -8.09918 -Infinity 1.215450 -Infinity
9064
230 pt -11.63959 7.17420 -7.84504 Infinity 1.188115 Infinity
9065
231 pt -11.46417 10.18184 -8.51590 Infinity 1.082952 Infinity
9066
232 pt -8.15586 14.57227 -12.86743 -Infinity 0.896652 -Infinity
9067
233 pt -9.14653 13.06947 -13.44295 Infinity 0.897852 Infinity
9068
234 pt -7.96235 14.51850 -10.98840 Infinity 0.967282 Infinity
9069
235 pt -17.59379 8.01627 -18.38067 -Infinity 0.648020 -Infinity
9070
236 pt -17.41507 6.38179 -19.31211 Infinity 0.640068 Infinity
9071
237 pt -18.07832 7.67067 -16.58711 Infinity 0.673493 Infinity
9072
238 pt -10.47258 10.04329 -14.53193 -Infinity 0.891882 -Infinity
9073
239 pt -11.28527 8.48430 -13.83898 Infinity 0.919863 Infinity
9074
240 pt -11.58699 10.79990 -15.85733 Infinity 0.807168 Infinity
9075
241 pt -15.75702 15.93878 -12.14326 -Infinity 0.710731 -Infinity
9076
242 pt -17.40107 15.04925 -11.86602 Infinity 0.693651 Infinity
9077
243 pt -15.74134 17.55524 -11.16455 Infinity 0.696150 Infinity
9078
244 pt -7.46753 19.13535 -14.92642 -Infinity 0.728696 -Infinity
9079
245 pt -7.66246 17.40019 -14.20373 Infinity 0.785897 Infinity
9080
246 pt -8.55468 20.34527 -13.96451 Infinity 0.707289 Infinity
9081
247 pt -10.53627 7.73406 -20.48592 -Infinity 0.719564 -Infinity
9082
248 pt -10.80888 6.05834 -19.65604 Infinity 0.748234 Infinity
9083
249 pt -11.67102 9.02177 -19.69522 Infinity 0.715149 Infinity
9084
250 pt -14.36932 17.86716 -17.06408 -Infinity 0.627025 -Infinity
9085
251 pt -14.75106 17.00465 -15.42657 Infinity 0.659696 Infinity
9086
252 pt -14.51660 19.73791 -16.84118 Infinity 0.602558 Infinity
9087
253 pt -12.66502 13.32469 -8.67148 -Infinity 0.923989 -Infinity
9088
254 pt -13.65325 14.07265 -10.09802 Infinity 0.839118 Infinity
9089
255 pt -13.49631 13.76046 -7.03132 Infinity 0.913041 Infinity
9090
256 pt -13.67830 11.26792 -18.59644 -Infinity 0.689267 -Infinity
9091
257 pt -14.24627 12.83372 -19.48906 Infinity 0.646400 Infinity
9092
258 pt -15.15900 10.12669 -18.32044 Infinity 0.679818 Infinity
9093
259 pt -9.55343 17.21480 -19.29743 -Infinity 0.653477 -Infinity
9094
260 pt -11.34688 17.11206 -18.71090 Infinity 0.647197 Infinity
9095
261 pt -8.50761 18.07793 -17.98125 Infinity 0.676264 Infinity
9096
262 pt -16.11532 15.20520 -21.27369 -Infinity 0.570799 -Infinity
9097
263 pt -15.75169 16.40766 -19.86198 Infinity 0.584661 Infinity
9098
264 pt -16.14018 16.14541 -22.91273 Infinity 0.539926 Infinity
9099
265 pt -15.56827 20.36333 -9.39386 -Infinity 0.666149 -Infinity
9100
266 pt -16.07068 22.00867 -10.17584 Infinity 0.621034 Infinity
9101
267 pt -16.21934 20.28210 -7.62170 Infinity 0.671460 Infinity
9102
268 pt -5.83199 9.47566 -18.95146 -Infinity 0.817550 -Infinity
9103
269 pt -7.58203 8.93922 -19.42118 Infinity 0.784911 Infinity
9104
270 pt -5.66628 9.50968 -17.06932 Infinity 0.897326 Infinity
9105
271 pt 3.38441 18.20481 -19.47595 -Infinity 0.671813 -Infinity
9106
272 pt 1.56551 18.01042 -19.95017 Infinity 0.671032 Infinity
9107
273 pt 4.34350 16.66655 -20.00978 Infinity 0.680400 Infinity
9108
274 pt -5.40752 14.21746 -21.14233 -Infinity 0.688566 -Infinity
9109
275 pt -5.41255 12.47927 -20.40089 Infinity 0.732638 Infinity
9110
276 pt -6.94639 15.15244 -20.56895 Infinity 0.678951 Infinity
9111
277 pt 1.81477 7.96252 -17.37459 -Infinity 0.938080 -Infinity
9112
278 pt 1.91184 9.15841 -15.91463 Infinity 0.996965 Infinity
9113
279 pt 2.11320 8.90642 -18.98427 Infinity 0.847345 Infinity
9114
280 pt -2.39334 19.06226 -15.80484 -Infinity 0.745980 -Infinity
9115
281 pt -4.25570 19.13869 -15.49361 Infinity 0.742879 Infinity
9116
282 pt -2.07357 18.64942 -17.62098 Infinity 0.713320 Infinity
9117
283 pt -1.68234 19.08774 -8.26704 -Infinity 0.933910 -Infinity
9118
284 pt -3.50996 19.43637 -7.93637 Infinity 0.912274 Infinity
9119
285 pt -0.81891 18.65375 -6.64310 Infinity 0.995704 Infinity
9120
286 pt 0.52004 16.42956 -12.34777 -Infinity 0.934815 -Infinity
9121
287 pt -0.15320 16.97693 -10.66903 Infinity 0.971198 Infinity
9122
288 pt -0.61745 17.05880 -13.71936 Infinity 0.865962 Infinity
9123
289 pt 1.98065 6.69710 -10.83122 -Infinity 1.515964 -Infinity
9124
290 pt 2.12086 8.35917 -11.71944 Infinity 1.337358 Infinity
9125
291 pt 3.13421 6.68227 -9.33451 Infinity 1.678386 Infinity
9126
292 pt -3.42670 11.77690 -8.96843 -Infinity 1.359545 -Infinity
9127
293 pt -1.84666 12.20825 -8.02584 Infinity 1.431728 Infinity
9128
294 pt -4.79610 12.98909 -8.49262 Infinity 1.255434 Infinity
9129
295 pt -1.69239 17.86562 -20.75920 -Infinity 0.657141 -Infinity
9130
296 pt -2.77245 16.31592 -20.70484 Infinity 0.680600 Infinity
9131
297 pt -2.14216 18.89517 -22.27867 Infinity 0.610601 Infinity
9132
298 pt 2.49166 11.35977 -13.31680 -Infinity 1.080679 -Infinity
9133
299 pt 4.29093 11.88126 -13.56523 Infinity 1.017064 Infinity
9134
300 pt 1.45568 12.86989 -12.85061 Infinity 1.058172 Infinity
9135
301 pt 4.15253 19.68006 -14.52760 -Infinity 0.745122 -Infinity
9136
302 pt 4.10423 19.22717 -16.36162 Infinity 0.716195 Infinity
9137
303 pt 3.17468 18.40252 -13.53626 Infinity 0.812427 Infinity
9138
304 pt -5.34369 9.06368 -13.58435 -Infinity 1.103203 -Infinity
9139
305 pt -4.56431 10.12328 -12.22757 Infinity 1.179247 Infinity
9140
306 pt -7.21176 9.34765 -13.61182 Infinity 1.042507 Infinity
9141
307 pt 5.51921 12.74783 -7.79956 -Infinity 1.249175 -Infinity
9142
308 pt 6.84919 11.60318 -8.50101 Infinity 1.220060 Infinity
9143
309 pt 6.04117 14.54719 -8.04638 Infinity 1.103483 Infinity
9144
310 pt 7.55431 17.69530 -8.34983 -Infinity 0.900736 -Infinity
9145
311 pt 8.93135 16.86301 -7.35881 Infinity 0.919011 Infinity
9146
312 pt 8.25722 18.35600 -9.97478 Infinity 0.828704 Infinity
9147
313 pt 12.51254 8.26329 -17.98031 -Infinity 0.732387 -Infinity
9148
314 pt 12.76230 7.06119 -19.41684 Infinity 0.698277 Infinity
9149
315 pt 12.89618 10.02205 -18.55535 Infinity 0.697295 Infinity
9150
316 pt 15.15877 14.50941 -15.18404 -Infinity 0.674515 -Infinity
9151
317 pt 14.53024 13.69585 -16.76964 Infinity 0.667937 Infinity
9152
318 pt 16.96781 15.00884 -15.40543 Infinity 0.632427 Infinity
9153
319 pt 11.69218 13.42589 -11.37749 -Infinity 0.854895 -Infinity
9154
320 pt 13.10793 13.80736 -12.56963 Infinity 0.780189 Infinity
9155
321 pt 12.02058 14.26792 -9.71791 Infinity 0.862713 Infinity
9156
322 pt 19.34258 17.78522 -10.15276 -Infinity 0.615294 -Infinity
9157
323 pt 20.00733 18.81383 -11.59190 Infinity 0.579769 Infinity
9158
324 pt 17.61210 18.38884 -9.69216 Infinity 0.642692 Infinity
9159
325 pt 14.81925 20.47544 -9.64203 -Infinity 0.657774 -Infinity
9160
326 pt 12.98036 20.09692 -9.42687 Infinity 0.699984 Infinity
9161
327 pt 15.06826 21.53923 -11.18392 Infinity 0.620290 Infinity
9162
328 pt 14.98958 21.15041 -20.51342 -Infinity 0.525914 -Infinity
9163
329 pt 16.21385 22.53866 -20.89420 Infinity 0.498397 Infinity
9164
330 pt 13.51704 21.26687 -21.69203 Infinity 0.523660 Infinity
9165
331 pt 13.89714 12.83428 -19.90002 -Infinity 0.628999 -Infinity
9166
332 pt 15.54440 12.73368 -20.82059 Infinity 0.591798 Infinity
9167
333 pt 12.66680 13.84585 -20.91692 Infinity 0.617111 Infinity
9168
334 pt 19.90036 11.17119 -7.02000 -Infinity 0.710104 -Infinity
9169
335 pt 21.11672 11.41625 -8.44530 Infinity 0.663365 Infinity
9170
336 pt 19.66648 12.80628 -6.10193 Infinity 0.704798 Infinity
9171
337 pt 15.86273 7.87106 -13.98276 -Infinity 0.752179 -Infinity
9172
338 pt 14.54446 7.97832 -15.33247 Infinity 0.755224 Infinity
9173
339 pt 17.31750 8.99069 -14.43128 Infinity 0.698475 Infinity
9174
340 pt 16.39520 7.65077 -8.74054 -Infinity 0.843502 -Infinity
9175
341 pt 16.02365 7.79587 -10.58769 Infinity 0.820209 Infinity
9176
342 pt 17.57349 9.03469 -8.22336 Infinity 0.793786 Infinity
9177
343 pt 7.35604 12.96709 -14.14008 -Infinity 0.894712 -Infinity
9178
344 pt 7.55482 14.02919 -15.69040 Infinity 0.813285 Infinity
9179
345 pt 8.83939 13.23164 -12.99958 Infinity 0.892298 Infinity
9180
346 pt 9.16165 19.75385 -12.73451 -Infinity 0.723127 -Infinity
9181
347 pt 10.48552 19.52292 -14.06308 Infinity 0.687096 Infinity
9182
348 pt 7.45227 19.75254 -13.54017 Infinity 0.731015 Infinity
9183
349 pt 19.08924 7.72275 -19.74199 -Infinity 0.584287 -Infinity
9184
350 pt 19.73368 8.29803 -21.42271 Infinity 0.549994 Infinity
9185
351 pt 18.67398 5.88096 -19.82222 Infinity 0.594125 Infinity
9186
352 pt 19.79478 20.54215 -14.54929 -Infinity 0.539449 -Infinity
9187
353 pt 20.98728 21.54739 -15.61631 Infinity 0.507333 Infinity
9188
354 pt 18.17460 21.49341 -14.34637 Infinity 0.550662 Infinity
9189
355 pt 8.64407 15.94060 -18.12351 -Infinity 0.697329 -Infinity
9190
356 pt 9.97509 17.12264 -17.48929 Infinity 0.675072 Infinity
9191
357 pt 8.94243 15.57806 -19.95397 Infinity 0.659192 Infinity
9192
358 pt 8.82616 8.03351 -14.40714 -Infinity 0.948693 -Infinity
9193
359 pt 8.04671 9.75458 -14.44488 Infinity 0.940261 Infinity
9194
360 pt 10.17950 7.92482 -15.72157 Infinity 0.858318 Infinity
9195
361 pt 9.29225 9.05866 -9.37464 -Infinity 1.150329 -Infinity
9196
362 pt 10.64733 10.37501 -9.41960 Infinity 1.035919 Infinity
9197
363 pt 9.11064 8.28133 -11.08749 Infinity 1.093977 Infinity
9198
364 pt 12.59665 18.81059 -16.48612 -Infinity 0.632520 -Infinity
9199
365 pt 13.51642 19.77210 -17.82797 Infinity 0.588874 Infinity
9200
366 pt 13.68245 17.39207 -15.86974 Infinity 0.648006 Infinity
9201
367 pt 19.85637 15.93879 -16.90101 -Infinity 0.559876 -Infinity
9202
368 pt 19.89664 16.39183 -18.73519 Infinity 0.535926 Infinity
9203
369 pt 20.11656 17.49492 -15.86089 Infinity 0.553318 Infinity
9204
370 pt 20.01761 10.81342 -15.74683 -Infinity 0.609937 -Infinity
9205
371 pt 19.77100 9.70771 -17.25933 Infinity 0.600339 Infinity
9206
372 pt 20.13905 12.61721 -16.29698 Infinity 0.588670 Infinity
9207
373 pt -10.99973 -18.26667 -1.58812 -Infinity 0.660335 -Infinity
9208
374 pt -12.19112 -16.96501 -0.91187 Infinity 0.677599 Infinity
9209
375 pt -9.67839 -17.42447 -2.64445 Infinity 0.696641 Infinity
9210
376 pt -17.07082 -16.08787 3.90708 -Infinity 0.611907 -Infinity
9211
377 pt -15.88624 -15.62044 2.51089 Infinity 0.644730 Infinity
9212
378 pt -17.82565 -14.52061 4.64533 Infinity 0.623914 Infinity
9213
379 pt -7.64994 -15.34517 -4.31909 -Infinity 0.780882 -Infinity
9214
380 pt -5.84107 -15.10076 -3.82991 Infinity 0.814750 Infinity
9215
381 pt -8.56352 -13.69505 -4.20275 Infinity 0.828803 Infinity
9216
382 pt -18.71630 -16.46949 -4.51885 -Infinity 0.586977 -Infinity
9217
383 pt -19.33048 -15.17991 -3.28159 Infinity 0.601165 Infinity
9218
384 pt -19.81721 -16.44498 -6.05458 Infinity 0.567042 Infinity
9219
385 pt -9.86958 -10.73164 -3.77466 -Infinity 0.926318 -Infinity
9220
386 pt -8.61632 -10.35957 -2.41013 Infinity 0.991050 Infinity
9221
387 pt -11.58603 -10.16109 -3.22755 Infinity 0.902747 Infinity
9222
388 pt -10.02700 -11.78005 3.35274 -Infinity 0.861712 -Infinity
9223
389 pt -8.56517 -11.65388 2.16185 Infinity 0.913976 Infinity
9224
390 pt -10.23781 -10.14072 4.26884 Infinity 0.909039 Infinity
9225
391 pt -13.61008 -14.11732 0.31867 -Infinity 0.726611 -Infinity
9226
392 pt -12.36112 -13.30662 1.48225 Infinity 0.771211 Infinity
9227
393 pt -14.28236 -12.82485 -0.88492 Infinity 0.748770 Infinity
9228
394 pt -18.89256 -11.57910 5.90754 -Infinity 0.646001 -Infinity
9229
395 pt -17.49426 -10.44896 6.48945 Infinity 0.688794 Infinity
9230
396 pt -19.96405 -10.66110 4.65046 Infinity 0.647453 Infinity
9231
397 pt -17.70217 -20.26344 6.80332 -Infinity 0.526215 -Infinity
9232
398 pt -18.03030 -19.64997 8.56032 Infinity 0.522496 Infinity
9233
399 pt -17.52636 -18.78389 5.64095 Infinity 0.554380 Infinity
9234
400 pt -16.47244 -7.48579 1.83757 -Infinity 0.818324 -Infinity
9235
401 pt -15.80443 -7.69946 3.59233 Infinity 0.821107 Infinity
9236
402 pt -18.32419 -7.86219 1.81720 Infinity 0.751728 Infinity
9237
403 pt -10.83504 -16.28222 6.09080 -Infinity 0.681174 -Infinity
9238
404 pt -10.06547 -17.55496 4.92505 Infinity 0.668058 Infinity
9239
405 pt -10.60367 -14.54905 5.37409 Infinity 0.737105 Infinity
9240
406 pt -14.75561 -9.61326 -2.50360 -Infinity 0.824902 -Infinity
9241
407 pt -15.44173 -8.47205 -3.84448 Infinity 0.828613 Infinity
9242
408 pt -15.26897 -8.96858 -0.80304 Infinity 0.829252 Infinity
9243
409 pt -15.26513 -7.85025 6.85553 -Infinity 0.791673 -Infinity
9244
410 pt -13.44177 -7.38504 6.68233 Infinity 0.861288 Infinity
9245
411 pt -16.24583 -6.34819 7.44977 Infinity 0.784603 Infinity
9246
412 pt -9.15434 -20.04404 2.90453 -Infinity 0.628136 -Infinity
9247
413 pt -9.72702 -21.82640 3.16199 Infinity 0.584762 Infinity
9248
414 pt -9.67208 -19.45718 1.18448 Infinity 0.642710 Infinity
9249
415 pt 4.74263 -10.87171 2.62631 -Infinity 1.005558 -Infinity
9250
416 pt 5.45492 -12.53616 3.16790 Infinity 0.899355 Infinity
9251
417 pt 5.78507 -9.47289 3.35273 Infinity 1.049054 Infinity
9252
418 pt 1.39279 -12.03773 -5.60168 -Infinity 0.972253 -Infinity
9253
419 pt 1.90542 -13.30983 -6.90170 Infinity 0.883371 Infinity
9254
420 pt 2.79705 -11.80477 -4.35875 Infinity 0.989445 Infinity
9255
421 pt -5.13489 -20.95876 6.01162 -Infinity 0.615815 -Infinity
9256
422 pt -4.30839 -22.59378 5.54828 Infinity 0.586188 Infinity
9257
423 pt -6.38207 -20.48110 4.67467 Infinity 0.628824 Infinity
9258
424 pt 0.80655 -14.65009 6.66277 -Infinity 0.803825 -Infinity
9259
425 pt 1.28658 -15.88755 5.31766 Infinity 0.775594 Infinity
9260
426 pt 0.34542 -12.99964 5.86625 Infinity 0.886341 Infinity
9261
427 pt 2.05849 -18.14119 3.17919 -Infinity 0.715989 -Infinity
9262
428 pt 2.05720 -19.83688 4.01329 Infinity 0.662218 Infinity
9263
429 pt 0.99260 -18.20418 1.62003 Infinity 0.725202 Infinity
9264
430 pt 5.51209 -11.81955 -2.46077 -Infinity 0.958237 -Infinity
9265
431 pt 5.14307 -11.37456 -0.66164 Infinity 0.994031 Infinity
9266
432 pt 6.27714 -13.54568 -2.53964 Infinity 0.861240 Infinity
9267
433 pt 3.41916 -19.86919 -3.86373 -Infinity 0.666336 -Infinity
9268
434 pt 3.58604 -20.32871 -5.68912 Infinity 0.646081 Infinity
9269
435 pt 3.85305 -21.36549 -2.79420 Infinity 0.628602 Infinity
9270
436 pt 6.55194 -15.50129 3.81200 -Infinity 0.761637 -Infinity
9271
437 pt 7.58638 -16.40604 5.10908 Infinity 0.710726 Infinity
9272
438 pt 5.02952 -16.53619 3.38506 Infinity 0.747167 Infinity
9273
439 pt -0.79120 -18.45813 -1.21442 -Infinity 0.724171 -Infinity
9274
440 pt 0.69396 -18.89520 -2.29810 Infinity 0.707872 Infinity
9275
441 pt -2.03092 -19.88417 -1.23803 Infinity 0.679121 Infinity
9276
442 pt -2.83511 -13.97799 -2.79863 -Infinity 0.897040 -Infinity
9277
443 pt -1.49242 -13.11314 -3.80871 Infinity 0.941170 Infinity
9278
444 pt -2.12834 -15.55074 -2.02532 Infinity 0.830321 Infinity
9279
445 pt -0.17208 -10.23512 4.23719 -Infinity 1.076313 -Infinity
9280
446 pt 1.57485 -10.29569 3.51911 Infinity 1.077950 Infinity
9281
447 pt -1.26920 -9.15871 3.13777 Infinity 1.186122 Infinity
9282
448 pt -6.12880 -10.84941 -0.06947 -Infinity 1.031711 -Infinity
9283
449 pt -4.94122 -12.04287 -0.92760 Infinity 0.984499 Infinity
9284
450 pt -5.18627 -9.30533 0.47688 Infinity 1.160479 Infinity
9285
451 pt 7.76591 -7.18954 4.61042 -Infinity 1.079939 -Infinity
9286
452 pt 9.38299 -7.68424 3.76698 Infinity 1.009899 Infinity
9287
453 pt 8.12037 -6.64735 6.38565 Infinity 1.038797 Infinity
9288
454 pt 17.83893 -21.01190 -0.73848 -Infinity 0.520129 -Infinity
9289
455 pt 16.80786 -21.52336 0.76031 Infinity 0.522377 Infinity
9290
456 pt 17.74484 -19.13745 -0.95908 Infinity 0.547554 Infinity
9291
457 pt 10.07092 -19.79990 0.44170 -Infinity 0.620408 -Infinity
9292
458 pt 8.83642 -20.63457 1.60377 Infinity 0.611335 Infinity
9293
459 pt 11.72872 -19.59358 1.32499 Infinity 0.606108 Infinity
9294
460 pt 17.98751 -20.08072 -6.03321 -Infinity 0.524285 -Infinity
9295
461 pt 16.66578 -20.87588 -7.12491 Infinity 0.523386 Infinity
9296
462 pt 17.82060 -20.72969 -4.26628 Infinity 0.521324 Infinity
9297
463 pt 16.77534 -16.03414 -1.64682 -Infinity 0.609997 -Infinity
9298
464 pt 16.47138 -16.29727 -3.49329 Infinity 0.607534 Infinity
9299
465 pt 15.31652 -15.09782 -0.89437 Infinity 0.651352 Infinity
9300
466 pt 21.35337 -8.75211 2.25162 -Infinity 0.630601 -Infinity
9301
467 pt 20.93490 -10.03367 0.92741 Infinity 0.626527 Infinity
9302
468 pt 20.19564 -7.26823 2.08179 Infinity 0.676929 Infinity
9303
469 pt 20.71894 -12.57724 -1.40590 -Infinity 0.598212 -Infinity
9304
470 pt 19.86514 -11.24474 -2.43864 Infinity 0.632400 Infinity
9305
471 pt 19.53434 -14.02549 -1.14063 Infinity 0.598138 Infinity
9306
472 pt 8.75086 -8.62868 -5.08561 -Infinity 1.003235 -Infinity
9307
473 pt 7.48727 -9.63922 -4.10929 Infinity 1.009009 Infinity
9308
474 pt 7.93410 -7.92854 -6.63925 Infinity 1.036877 Infinity
9309
475 pt 13.08368 -11.32579 -4.44233 -Infinity 0.778882 -Infinity
9310
476 pt 11.55388 -10.28212 -4.81856 Infinity 0.848841 Infinity
9311
477 pt 12.89100 -12.13979 -2.74783 Infinity 0.768699 Infinity
9312
478 pt 12.69850 -8.82513 2.88450 -Infinity 0.858969 -Infinity
9313
479 pt 13.18544 -8.66090 4.70302 Infinity 0.827796 Infinity
9314
480 pt 13.06544 -7.20466 1.98424 Infinity 0.905006 Infinity
9315
481 pt 7.36720 -16.67957 -2.84942 -Infinity 0.730627 -Infinity
9316
482 pt 5.80780 -17.68137 -3.21786 Infinity 0.715306 Infinity
9317
483 pt 8.43286 -17.60920 -1.59594 Infinity 0.692870 Infinity
9318
484 pt 17.75985 -9.22628 -3.76184 -Infinity 0.709852 -Infinity
9319
485 pt 16.06502 -10.02628 -4.00392 Infinity 0.736662 Infinity
9320
486 pt 17.67784 -7.40818 -4.27061 Infinity 0.742471 Infinity
9321
487 pt 10.41888 -17.56459 -7.19967 -Infinity 0.648688 -Infinity
9322
488 pt 11.16529 -19.14735 -6.48635 Infinity 0.610620 Infinity
9323
489 pt 9.21860 -16.81333 -5.94827 Infinity 0.689516 Infinity
9324
490 pt 14.38786 -19.25402 3.15843 -Infinity 0.578264 -Infinity
9325
491 pt 15.53905 -17.75700 3.08963 Infinity 0.590418 Infinity
9326
492 pt 14.13491 -19.77327 4.95772 Infinity 0.565501 Infinity
9327
493 pt 12.70388 -13.36252 0.30641 -Infinity 0.740119 -Infinity
9328
494 pt 11.22984 -14.37817 0.91198 Infinity 0.739507 Infinity
9329
495 pt 12.80407 -11.74976 1.28623 Infinity 0.779463 Infinity
9330
496 pt -21.21178 -2.74347 -5.23847 -Infinity 0.728794 -Infinity
9331
497 pt -20.62476 -1.83656 -6.78895 Infinity 0.743668 Infinity
9332
498 pt -22.97512 -3.36930 -5.50315 Infinity 0.671000 Infinity
9333
499 pt -9.82234 2.07304 -3.93727 -Infinity 1.647903 -Infinity
9334
500 pt -11.01974 2.75666 -5.22955 Infinity 1.426642 Infinity
9335
501 pt -8.05351 2.54896 -4.40182 Infinity 1.960155 Infinity
9336
502 pt -7.84163 2.66257 6.20740 -Infinity 1.551287 -Infinity
9337
503 pt -6.93551 2.18123 4.62048 Infinity 1.858349 Infinity
9338
504 pt -9.69649 2.77744 5.86479 Infinity 1.396011 Infinity
9339
505 pt -15.02453 -3.39126 -0.90340 -Infinity 1.000918 -Infinity
9340
506 pt -15.72491 -4.71162 0.25297 Infinity 0.926410 Infinity
9341
507 pt -15.44511 -3.83183 -2.69227 Infinity 0.961474 Infinity
9342
508 pt -15.66199 5.16392 -2.15394 -Infinity 1.054299 -Infinity
9343
509 pt -17.37758 4.68693 -2.78662 Infinity 0.946948 Infinity
9344
510 pt -14.89416 3.69598 -1.24473 Infinity 1.121016 Infinity
9345
511 pt -13.07780 1.29952 0.05326 -Infinity 1.261564 -Infinity
9346
512 pt -11.72330 1.54474 -1.24144 Infinity 1.423067 Infinity
9347
513 pt -13.91133 -0.37509 -0.21502 Infinity 1.154045 Infinity
9348
514 pt -13.04256 2.70865 5.09846 -Infinity 1.150891 -Infinity
9349
515 pt -13.00607 2.23876 3.26845 Infinity 1.213845 Infinity
9350
516 pt -14.21241 1.54888 6.02446 Infinity 1.033986 Infinity
9351
517 pt -20.06184 3.36759 -3.83535 -Infinity 0.813969 -Infinity
9352
518 pt -21.27056 3.45179 -5.28552 Infinity 0.758297 Infinity
9353
519 pt -20.58935 1.99069 -2.65343 Infinity 0.795643 Infinity
9354
520 pt -10.48383 -4.41569 1.33637 -Infinity 1.241190 -Infinity
9355
521 pt -12.10645 -4.03146 0.44726 Infinity 1.156781 Infinity
9356
522 pt -9.03437 -3.76470 0.31347 Infinity 1.427759 Infinity
9357
523 pt -13.47419 4.66646 -6.82691 -Infinity 1.131256 -Infinity
9358
524 pt -14.38483 4.95985 -5.19727 Infinity 1.107253 Infinity
9359
525 pt -14.72485 4.26208 -8.18462 Infinity 1.010471 Infinity
9360
526 pt -16.69774 -5.62418 -5.35641 -Infinity 0.841281 -Infinity
9361
527 pt -18.39317 -4.79016 -5.38773 Infinity 0.795191 Infinity
9362
528 pt -15.56951 -4.80827 -6.63408 Infinity 0.887621 Infinity
9363
529 pt -10.19210 -6.99026 5.65683 -Infinity 1.014382 -Infinity
9364
530 pt -10.38531 -6.03812 4.03597 Infinity 1.094433 Infinity
9365
531 pt -8.51457 -6.58844 6.42852 Infinity 1.073089 Infinity
9366
532 pt 5.52736 2.65016 -4.06074 -Infinity 2.355038 -Infinity
9367
533 pt 6.35097 3.17827 -2.44400 Infinity 2.303989 Infinity
9368
534 pt 5.39319 4.13936 -5.21631 Infinity 2.230537 Infinity
9369
535 pt -1.60002 -3.19210 4.38457 -Infinity 1.816027 -Infinity
9370
536 pt -1.72734 -1.30800 4.45538 Infinity 2.126596 Infinity
9371
537 pt 0.21917 -3.69960 4.32074 Infinity 1.743730 Infinity
9372
538 pt -4.89830 3.24663 -4.94580 -Infinity 2.766868 -Infinity
9373
539 pt -5.04850 5.07058 -5.41665 Infinity 2.483114 Infinity
9374
540 pt -3.65208 3.05906 -3.53767 Infinity 4.119397 Infinity
9375
541 pt 0.58719 1.91584 5.69946 -Infinity 2.237533 -Infinity
9376
542 pt 0.32001 3.74591 6.08745 Infinity 2.194241 Infinity
9377
543 pt 2.28253 1.68172 4.89816 Infinity 2.307272 Infinity
9378
544 pt -3.04631 -6.84230 1.07756 -Infinity 1.460555 -Infinity
9379
545 pt -2.80670 -6.13156 -0.65694 Infinity 1.599059 Infinity
9380
546 pt -2.69062 -5.50335 2.36277 Infinity 1.604870 Infinity
9381
547 pt -7.05557 -2.18741 -1.77837 -Infinity 1.862651 -Infinity
9382
548 pt -7.91490 -1.08995 -3.05437 Infinity 1.816920 Infinity
9383
549 pt -5.46300 -2.88627 -2.51755 Infinity 1.961023 Infinity
9384
550 pt -2.43542 -4.22649 -3.42351 -Infinity 1.903310 -Infinity
9385
551 pt -2.14876 -5.47067 -4.81667 Infinity 1.602927 Infinity
9386
552 pt -1.03058 -2.96267 -3.40727 Infinity 2.267418 Infinity
9387
553 pt -5.62534 6.77316 1.45773 -Infinity 2.445135 -Infinity
9388
554 pt -6.71573 7.49068 0.09125 Infinity 2.158221 Infinity
9389
555 pt -5.83188 4.89546 1.50913 Infinity 2.682612 Infinity
9390
556 pt -5.66787 1.48071 1.69975 -Infinity 2.661563 -Infinity
9391
557 pt -3.99835 1.86278 0.90113 Infinity 3.922121 Infinity
9392
558 pt -6.51988 0.08949 0.74599 Infinity 2.297551 Infinity
9393
559 pt 1.94002 -1.34683 -4.30054 -Infinity 2.431774 -Infinity
9394
560 pt 3.24937 -0.00507 -4.06320 Infinity 2.589501 Infinity
9395
561 pt 2.26684 -2.26832 -5.91768 Infinity 1.939809 Infinity
9396
562 pt 5.34748 1.04917 3.70816 -Infinity 2.000157 -Infinity
9397
563 pt 5.98897 2.14276 2.30686 Infinity 2.153207 Infinity
9398
564 pt 6.65107 0.94188 5.07205 Infinity 1.629453 Infinity
9399
565 pt 3.61040 -3.88123 4.41977 -Infinity 1.561223 -Infinity
9400
566 pt 4.99815 -5.15301 4.25308 Infinity 1.364891 Infinity
9401
567 pt 4.23658 -2.18745 3.86292 Infinity 1.765951 Infinity
9402
568 pt 16.55097 -4.56506 -5.66576 -Infinity 0.820252 -Infinity
9403
569 pt 16.10199 -5.29853 -7.34847 Infinity 0.803567 Infinity
9404
570 pt 14.97082 -4.12482 -4.72748 Infinity 0.902533 Infinity
9405
571 pt 12.32974 3.20159 -0.44967 -Infinity 1.248049 -Infinity
9406
572 pt 12.49378 2.07324 1.05731 Infinity 1.208389 Infinity
9407
573 pt 14.03884 3.51415 -1.19288 Infinity 1.102408 Infinity
9408
574 pt 12.85314 0.36471 3.80634 -Infinity 1.096604 -Infinity
9409
575 pt 11.46507 0.47497 5.08391 Infinity 1.157157 Infinity
9410
576 pt 14.32251 1.40550 4.37972 Infinity 1.003347 Infinity
9411
577 pt 16.39475 3.96918 5.44339 -Infinity 0.883957 -Infinity
9412
578 pt 15.99966 5.80754 5.25526 Infinity 0.899558 Infinity
9413
579 pt 16.08586 3.43706 7.23014 Infinity 0.862748 Infinity
9414
580 pt 21.27509 3.59126 3.64662 -Infinity 0.718181 -Infinity
9415
581 pt 19.48456 3.60092 4.25074 Infinity 0.773827 Infinity
9416
582 pt 21.52871 2.15275 2.44768 Infinity 0.715592 Infinity
9417
583 pt 17.24675 3.47793 -2.06959 -Infinity 0.900787 -Infinity
9418
584 pt 18.23160 2.11590 -1.20589 Infinity 0.851547 Infinity
9419
585 pt 17.41557 3.28794 -3.94215 Infinity 0.882113 Infinity
9420
586 pt 18.49158 -4.12961 2.42116 -Infinity 0.767835 -Infinity
9421
587 pt 16.73928 -4.20484 1.71771 Infinity 0.834606 Infinity
9422
588 pt 18.41257 -4.09158 4.30885 Infinity 0.756459 Infinity
9423
589 pt 7.53359 4.48704 0.40325 -Infinity 1.972382 -Infinity
9424
590 pt 7.59400 6.06605 1.43967 Infinity 1.836420 Infinity
9425
591 pt 9.29025 3.97399 -0.06790 Infinity 1.635799 Infinity
9426
592 pt 20.65247 -0.46882 -0.62064 -Infinity 0.742046 -Infinity
9427
593 pt 21.10065 -1.36665 -2.22192 Infinity 0.720173 Infinity
9428
594 pt 19.94426 -1.70630 0.61958 Infinity 0.754254 Infinity
9429
595 pt 13.52231 -4.06894 1.02423 -Infinity 0.989347 -Infinity
9430
596 pt 13.09221 -2.48994 1.96914 Infinity 1.049745 Infinity
9431
597 pt 12.74062 -4.00805 -0.69516 Infinity 1.043398 Infinity
9432
598 pt 9.09708 -0.64341 -6.27015 -Infinity 1.359483 -Infinity
9433
599 pt 7.84480 0.56106 -5.52711 Infinity 1.602341 Infinity
9434
600 pt 9.85205 0.11305 -7.82863 Infinity 1.241397 Infinity
9435
601 pt 11.56982 -4.32766 -3.74551 -Infinity 1.084095 -Infinity
9436
602 pt 10.70351 -2.87581 -4.58972 Infinity 1.187023 Infinity
9437
603 pt 10.59353 -5.91468 -4.06063 Infinity 1.066313 Infinity
9438
604 pt -14.37489 14.79250 2.86227 -Infinity 0.876987 -Infinity
9439
605 pt -15.47905 14.28172 1.41624 Infinity 0.862825 Infinity
9440
606 pt -15.30358 14.53326 4.48751 Infinity 0.832958 Infinity
9441
607 pt -12.43161 7.91278 5.06404 -Infinity 1.139180 -Infinity
9442
608 pt -12.77933 6.05654 5.13126 Infinity 1.150720 Infinity
9443
609 pt -13.04589 8.61059 3.41880 Infinity 1.127930 Infinity
9444
610 pt -20.46171 8.37994 1.57153 -Infinity 0.775852 -Infinity
9445
611 pt -21.62528 8.42577 0.08323 Infinity 0.739852 Infinity
9446
612 pt -20.40128 6.62563 2.27139 Infinity 0.787272 Infinity
9447
613 pt -10.86252 18.03316 4.58921 -Infinity 0.857161 -Infinity
9448
614 pt -11.65104 19.20655 5.84319 Infinity 0.784157 Infinity
9449
615 pt -12.20394 16.96662 3.79287 Infinity 0.868148 Infinity
9450
616 pt -7.62739 9.69347 5.20700 -Infinity 1.414661 -Infinity
9451
617 pt -9.43535 9.14437 5.23531 Infinity 1.305385 Infinity
9452
618 pt -6.70483 8.75725 3.84926 Infinity 1.687406 Infinity
9453
619 pt -7.64290 14.62151 6.82715 -Infinity 1.041510 -Infinity
9454
620 pt -8.81643 15.74993 5.86769 Infinity 0.981199 Infinity
9455
621 pt -7.64057 12.90160 6.04422 Infinity 1.163324 Infinity
9456
622 pt -20.78291 18.64522 -0.96946 -Infinity 0.634230 -Infinity
9457
623 pt -22.28417 19.79284 -0.95370 Infinity 0.590059 Infinity
9458
624 pt -20.09736 18.47900 0.78366 Infinity 0.649052 Infinity
9459
625 pt -18.03106 12.78638 -0.37096 -Infinity 0.809634 -Infinity
9460
626 pt -18.79748 11.19560 0.30214 Infinity 0.807891 Infinity
9461
627 pt -19.39691 14.04200 -0.73005 Infinity 0.742368 Infinity
9462
628 pt -19.67271 18.34854 4.18053 -Infinity 0.646948 -Infinity
9463
629 pt -19.07922 19.95700 4.97531 Infinity 0.628274 Infinity
9464
630 pt -18.93725 16.87666 5.10991 Infinity 0.680168 Infinity
9465
631 pt -7.81318 14.55529 -7.57304 -Infinity 1.087802 -Infinity
9466
632 pt -7.71580 15.21062 -5.80326 Infinity 1.104150 Infinity
9467
633 pt -9.55642 13.90908 -7.91155 Infinity 1.043016 Infinity
9468
634 pt -12.91449 19.83864 -2.99525 -Infinity 0.779130 -Infinity
9469
635 pt -14.66093 20.20468 -3.61737 Infinity 0.728308 Infinity
9470
636 pt -12.10805 21.44064 -2.39999 Infinity 0.749932 Infinity
9471
637 pt -8.87655 13.43906 0.41741 -Infinity 1.227540 -Infinity
9472
638 pt -10.53229 13.62313 1.30944 Infinity 1.111794 Infinity
9473
639 pt -8.81466 11.76606 -0.45912 Infinity 1.368838 Infinity
9474
640 pt -13.92404 9.28417 0.20923 -Infinity 1.097544 -Infinity
9475
641 pt -15.16850 10.67927 -0.06665 Infinity 0.983329 Infinity
9476
642 pt -14.55155 7.70593 -0.61930 Infinity 1.098286 Infinity
9477
643 pt -8.63771 8.92541 -2.02871 -Infinity 1.640119 -Infinity
9478
644 pt -10.49537 8.60688 -2.16544 Infinity 1.430269 Infinity
9479
645 pt -7.82592 8.65773 -3.71407 Infinity 1.724334 Infinity
9480
646 pt -8.36046 17.33964 -2.88357 -Infinity 1.002552 -Infinity
9481
647 pt -8.42217 15.95093 -1.60344 Infinity 1.087473 Infinity
9482
648 pt -10.04035 18.20165 -2.96082 Infinity 0.911072 Infinity
9483
649 pt -17.64131 21.10224 -4.49206 -Infinity 0.647158 -Infinity
9484
650 pt -17.92006 22.97118 -4.47104 Infinity 0.609236 Infinity
9485
651 pt -18.78684 20.27928 -3.23446 Infinity 0.644428 Infinity
9486
652 pt -14.54622 14.75837 -4.13205 -Infinity 0.880038 -Infinity
9487
653 pt -14.06080 16.47719 -3.51471 Infinity 0.848708 Infinity
9488
654 pt -15.86946 14.03042 -2.99619 Infinity 0.858060 Infinity
9489
655 pt -1.04547 8.94456 2.24421 -Infinity 2.483132 -Infinity
9490
656 pt -2.65242 8.05165 1.80662 Infinity 2.723836 Infinity
9491
657 pt -0.44612 8.36940 3.94158 Infinity 2.277595 Infinity
9492
658 pt 5.16515 13.32437 6.05079 -Infinity 1.201653 -Infinity
9493
659 pt 7.05456 13.29980 6.07477 Infinity 1.126601 Infinity
9494
660 pt 4.50196 12.01573 7.24189 Infinity 1.245071 Infinity
9495
661 pt 1.96911 11.73584 -0.97366 -Infinity 1.882900 -Infinity
9496
662 pt 1.09763 10.57943 0.24055 Infinity 2.188449 Infinity
9497
663 pt 3.83434 11.67276 -0.67697 Infinity 1.753946 Infinity
9498
664 pt 0.76230 12.80539 -5.83946 -Infinity 1.531668 -Infinity
9499
665 pt 1.04277 12.24136 -4.05781 Infinity 1.725525 Infinity
9500
666 pt 2.40933 12.81190 -6.76590 Infinity 1.429429 Infinity
9501
667 pt 0.15051 17.50828 -3.76908 -Infinity 1.126846 -Infinity
9502
668 pt 1.73845 17.89866 -2.82191 Infinity 1.097034 Infinity
9503
669 pt 0.21625 15.73006 -4.40521 Infinity 1.268231 Infinity
9504
670 pt -3.54346 13.76945 1.45812 -Infinity 1.456718 -Infinity
9505
671 pt -2.76159 12.05157 1.55098 Infinity 1.734639 Infinity
9506
672 pt -5.38992 13.60333 1.09200 Infinity 1.402765 Infinity
9507
673 pt 2.22950 15.85315 2.70723 -Infinity 1.218821 -Infinity
9508
674 pt 1.35270 14.64548 1.54800 Infinity 1.387911 Infinity
9509
675 pt 3.30638 14.88964 3.92504 Infinity 1.237552 Infinity
9510
676 pt 2.11683 20.02868 5.67849 -Infinity 0.890267 -Infinity
9511
677 pt 1.23612 19.78643 7.33280 Infinity 0.872166 Infinity
9512
678 pt 1.84622 18.50719 4.59088 Infinity 0.991362 Infinity
9513
679 pt -6.69642 19.79341 -7.29383 -Infinity 0.867695 -Infinity
9514
680 pt -6.97552 19.52578 -5.44409 Infinity 0.900819 Infinity
9515
681 pt -7.32291 18.28903 -8.25061 Infinity 0.902254 Infinity
9516
682 pt -3.80628 20.07665 -1.62099 -Infinity 0.949872 -Infinity
9517
683 pt -2.40317 18.98148 -2.25577 Infinity 1.027360 Infinity
9518
684 pt -5.40958 19.07804 -1.56373 Infinity 0.982842 Infinity
9519
685 pt 7.18686 20.32988 4.21053 -Infinity 0.835663 -Infinity
9520
686 pt 5.40858 20.09769 4.80624 Infinity 0.865577 Infinity
9521
687 pt 7.75824 18.77147 3.30723 Infinity 0.898690 Infinity
9522
688 pt 4.39484 18.66943 -1.00445 -Infinity 1.010337 -Infinity
9523
689 pt 6.23179 18.23123 -0.93608 Infinity 0.994727 Infinity
9524
690 pt 3.49554 17.84570 0.43909 Infinity 1.075815 Infinity
9525
691 pt -5.81879 7.99779 -6.42796 -Infinity 1.826705 -Infinity
9526
692 pt -4.63190 9.19517 -7.28156 Infinity 1.708479 Infinity
9527
693 pt -7.52201 8.11251 -7.23847 Infinity 1.542215 Infinity
9528
694 pt 5.30556 7.12036 -6.74312 -Infinity 1.824751 -Infinity
9529
695 pt 6.93614 7.44344 -7.64196 Infinity 1.512068 Infinity
9530
696 pt 4.65084 8.73984 -6.02224 Infinity 1.837215 Infinity
9531
697 pt -3.27420 16.92813 5.59099 -Infinity 1.052388 -Infinity
9532
698 pt -2.79931 16.12483 3.94774 Infinity 1.164486 Infinity
9533
699 pt -4.83244 16.10232 6.26995 Infinity 1.054059 Infinity
9534
700 pt 10.51256 12.75893 5.91024 -Infinity 1.006295 -Infinity
9535
701 pt 11.46412 14.06127 4.92560 Infinity 0.943976 Infinity
9536
702 pt 11.55866 12.18782 7.37673 Infinity 0.940209 Infinity
9537
703 pt 21.02072 11.18787 5.73527 -Infinity 0.672462 -Infinity
9538
704 pt 21.66295 9.94319 4.46666 Infinity 0.675395 Infinity
9539
705 pt 20.70565 10.30878 7.37813 Infinity 0.672915 Infinity
9540
706 pt 11.20936 10.51558 -3.38205 -Infinity 1.166378 -Infinity
9541
707 pt 11.48665 8.96440 -4.42513 Infinity 1.186773 Infinity
9542
708 pt 12.62679 10.70712 -2.14702 Infinity 1.074026 Infinity
9543
709 pt 16.06062 9.91983 4.83480 -Infinity 0.857952 -Infinity
9544
710 pt 17.84160 10.54758 4.90630 Infinity 0.781454 Infinity
9545
711 pt 15.21808 10.22127 6.49923 Infinity 0.858801 Infinity
9546
712 pt 17.75792 17.66392 4.65599 -Infinity 0.674495 -Infinity
9547
713 pt 17.42672 18.04200 6.47765 Infinity 0.661024 Infinity
9548
714 pt 19.60914 17.81331 4.30705 Infinity 0.635393 Infinity
9549
715 pt 14.98488 17.10316 -3.44560 -Infinity 0.775142 -Infinity
9550
716 pt 14.76775 16.76150 -1.59974 Infinity 0.795137 Infinity
9551
717 pt 16.74630 16.65921 -3.96651 Infinity 0.734369 Infinity
9552
718 pt 14.03993 15.74711 1.58746 -Infinity 0.838148 -Infinity
9553
719 pt 15.34081 16.47472 2.74908 Infinity 0.771762 Infinity
9554
720 pt 14.54354 13.99342 1.09552 Infinity 0.871224 Infinity
9555
721 pt 18.99368 8.50351 -2.41119 -Infinity 0.795443 -Infinity
9556
722 pt 19.44909 9.04609 -4.16313 Infinity 0.766278 Infinity
9557
723 pt 18.42880 6.70036 -2.43590 Infinity 0.833223 Infinity
9558
724 pt 8.85097 16.48081 0.99139 -Infinity 0.999212 -Infinity
9559
725 pt 10.73546 16.40644 1.11062 Infinity 0.933818 Infinity
9560
726 pt 8.17348 14.75555 0.62318 Infinity 1.128036 Infinity
9561
727 pt 7.14383 11.58927 -0.29710 -Infinity 1.454157 -Infinity
9562
728 pt 7.40492 10.45310 1.19018 Infinity 1.506843 Infinity
9563
729 pt 8.46419 11.23443 -1.60164 Infinity 1.367778 Infinity
9564
730 pt 19.81222 16.06572 -5.07810 -Infinity 0.662915 -Infinity
9565
731 pt 20.03932 16.89814 -6.75934 Infinity 0.637633 Infinity
9566
732 pt 20.82777 16.98522 -3.77647 Infinity 0.632506 Infinity
9567
733 pt 11.45758 14.85069 -6.33227 -Infinity 0.930689 -Infinity
9568
734 pt 11.11917 13.25388 -5.38004 Infinity 1.022393 Infinity
9569
735 pt 12.79662 15.84405 -5.44273 Infinity 0.862514 Infinity
9570
736 pt 12.05181 21.30960 -4.22415 -Infinity 0.730385 -Infinity
9571
737 pt 11.29603 21.78189 -2.55778 Infinity 0.737377 Infinity
9572
738 pt 13.19785 19.82403 -3.99884 Infinity 0.747640 Infinity
9573
739 pt 8.22936 8.58297 3.72199 -Infinity 1.445976 -Infinity
9574
740 pt 9.25775 10.05857 4.30174 Infinity 1.248072 Infinity
9575
741 pt 7.92214 7.41729 5.17727 Infinity 1.440409 Infinity
9576
742 pt 15.15188 10.95720 -0.04346 -Infinity 0.926331 -Infinity
9577
743 pt 15.25732 10.37292 1.75058 Infinity 0.923089 Infinity
9578
744 pt 16.58022 10.21528 -1.03364 Infinity 0.875729 Infinity
9579
745 pt -17.86367 -6.72735 21.14783 -Infinity 0.533435 -Infinity
9580
746 pt -17.49529 -7.28539 22.91530 Infinity 0.510913 Infinity
9581
747 pt -17.77192 -8.21393 19.98476 Infinity 0.539688 Infinity
9582
748 pt -17.83794 -10.42268 17.78679 -Infinity 0.548699 -Infinity
9583
749 pt -17.79947 -10.25216 15.90517 Infinity 0.574150 Infinity
9584
750 pt -16.96435 -12.01990 18.29356 Infinity 0.537009 Infinity
9585
751 pt -13.40367 -15.47953 10.67085 -Infinity 0.619853 -Infinity
9586
752 pt -13.53826 -13.67013 11.19908 Infinity 0.644355 Infinity
9587
753 pt -12.62787 -15.57856 8.95056 Infinity 0.646083 Infinity
9588
754 pt -9.03128 -8.80737 21.17837 -Infinity 0.595732 -Infinity
9589
755 pt -8.72986 -7.03540 21.76174 Infinity 0.603935 Infinity
9590
756 pt -7.41889 -9.78773 21.27925 Infinity 0.593593 Infinity
9591
757 pt -10.10064 -18.37838 13.55779 -Infinity 0.569876 -Infinity
9592
758 pt -11.10070 -17.13021 12.55129 Infinity 0.593665 Infinity
9593
759 pt -9.06128 -19.44148 12.39134 Infinity 0.571155 Infinity
9594
760 pt -7.73996 -19.83491 18.06088 -Infinity 0.514392 -Infinity
9595
761 pt -8.67691 -21.45781 18.30457 Infinity 0.489159 Infinity
9596
762 pt -8.39472 -18.95313 16.52309 Infinity 0.539316 Infinity
9597
763 pt -18.52981 -9.50270 12.70874 -Infinity 0.612064 -Infinity
9598
764 pt -16.76587 -9.99746 12.24528 Infinity 0.640616 Infinity
9599
765 pt -18.70039 -7.62255 12.62501 Infinity 0.631747 Infinity
9600
766 pt -12.62200 -21.03711 7.79146 -Infinity 0.555084 -Infinity
9601
767 pt -11.96666 -19.32979 7.31535 Infinity 0.593832 Infinity
9602
768 pt -14.49802 -21.07771 7.56793 Infinity 0.540129 Infinity
9603
769 pt -13.47250 -10.58732 12.60291 -Infinity 0.679582 -Infinity
9604
770 pt -12.33088 -9.39956 11.67717 Infinity 0.738528 Infinity
9605
771 pt -12.78415 -10.90342 14.33419 Infinity 0.654997 Infinity
9606
772 pt -13.66250 -21.06411 16.07794 -Infinity 0.488180 -Infinity
9607
773 pt -12.58928 -22.13044 17.21028 Infinity 0.473613 Infinity
9608
774 pt -12.56385 -19.87414 15.10429 Infinity 0.517243 Infinity
9609
775 pt -11.49721 -11.71180 17.27749 -Infinity 0.608758 -Infinity
9610
776 pt -11.11701 -10.47766 18.65713 Infinity 0.605161 Infinity
9611
777 pt -9.88755 -12.49071 16.66645 Infinity 0.622454 Infinity
9612
778 pt 1.81046 -6.67097 19.22968 -Infinity 0.698663 -Infinity
9613
779 pt 1.31043 -7.67137 20.75291 Infinity 0.648856 Infinity
9614
780 pt 1.02889 -7.43541 17.68830 Infinity 0.732256 Infinity
9615
781 pt 7.20438 -8.05428 13.79589 -Infinity 0.782241 -Infinity
9616
782 pt 6.62347 -6.57517 14.81855 Infinity 0.791381 Infinity
9617
783 pt 5.73910 -8.78190 12.85005 Infinity 0.812118 Infinity
9618
784 pt 7.76606 -14.70597 13.02325 -Infinity 0.650656 -Infinity
9619
785 pt 6.99494 -13.08568 13.61578 Infinity 0.680558 Infinity
9620
786 pt 6.55060 -15.60596 11.89023 Infinity 0.659205 Infinity
9621
787 pt 0.62302 -19.93924 12.48491 -Infinity 0.587882 -Infinity
9622
788 pt -0.84936 -18.80558 12.82839 Infinity 0.606222 Infinity
9623
789 pt 0.04430 -21.44385 11.49885 Infinity 0.570328 Infinity
9624
790 pt -6.70180 -12.71453 15.81555 -Infinity 0.658948 -Infinity
9625
791 pt -6.56359 -10.89033 15.34201 Infinity 0.704439 Infinity
9626
792 pt -5.33474 -13.15271 17.04445 Infinity 0.636254 Infinity
9627
793 pt 4.18352 -17.03331 10.04948 -Infinity 0.668051 -Infinity
9628
794 pt 3.04782 -18.20172 11.00659 Infinity 0.634518 Infinity
9629
795 pt 3.15170 -15.97279 8.87402 Infinity 0.717382 Infinity
9630
796 pt -6.54525 -7.68297 14.28466 -Infinity 0.800690 -Infinity
9631
797 pt -5.80663 -8.26280 12.64475 Infinity 0.847115 Infinity
9632
798 pt -5.50143 -6.27070 14.98251 Infinity 0.820611 Infinity
9633
799 pt 1.50511 -20.28184 17.58941 -Infinity 0.526272 -Infinity
9634
800 pt -0.12635 -21.20716 17.82001 Infinity 0.512708 Infinity
9635
801 pt 1.78199 -19.93944 15.75170 Infinity 0.550705 Infinity
9636
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9637
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9640
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9643
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9649
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9652
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9655
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9660
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9661
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9664
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9666
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9667
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9668
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9669
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9670
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9672
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9673
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9679
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9680
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9682
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9683
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9685
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9688
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9697
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9698
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9700
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9701
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9702
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9703
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9704
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9705
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9706
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9707
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9708
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9709
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9710
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9712
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9713
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9714
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9715
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9716
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9717
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9718
884 pt -20.81000 -4.58434 7.59153 Infinity 0.682089 Infinity
9719
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9720
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9721
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9722
888 pt -11.89257 -2.65030 13.02636 Infinity 0.836520 Infinity
9723
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9724
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9725
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9726
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9727
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9728
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9729
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9730
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9731
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9732
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9733
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9734
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9735
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9736
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9737
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9738
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9739
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9740
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9741
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9742
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9743
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9745
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9747
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9748
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9749
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9750
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9751
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9752
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9755
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9758
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9759
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9760
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9761
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9762
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9763
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9765
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9766
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9767
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9769
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9770
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9771
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9772
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9773
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9774
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9775
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9776
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9778
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9779
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9780
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9781
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9782
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9783
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9786
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9787
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9788
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9789
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9791
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9794
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9795
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9797
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9798
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9799
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9800
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9802
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9803
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9804
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9805
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9806
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9807
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9808
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9809
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9810
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9811
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9812
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9813
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9814
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9815
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9817
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9820
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9821
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9823
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9824
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9825
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9826
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9827
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9828
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9829
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9830
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9831
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9832
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9833
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9834
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9835
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9836
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9837
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9838
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9839
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9840
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9842
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9843
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9844
1010 pt -14.88179 15.81371 15.93109 Infinity 0.630024 Infinity
9845
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9846
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9847
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9848
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9849
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9850
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9851
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9852
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9853
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9854
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9855
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9856
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9857
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9858
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9859
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9860
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9861
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9862
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9863
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9864
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9865
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9866
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9867
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9868
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9869
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9870
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9871
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9872
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9873
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9874
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9875
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9876
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9877
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9878
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9879
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9880
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9881
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9882
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9883
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9884
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9885
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9886
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9887
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9888
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9889
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9890
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9891
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9892
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9893
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9894
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9895
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9896
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9897
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9898
1064 pt 17.58458 8.39922 16.74757 Infinity 0.619011 Infinity
9899
1065 pt 15.05866 10.17180 16.68112 Infinity 0.652748 Infinity
9900
1066 pt 19.27245 9.98679 10.68189 -Infinity 0.670459 -Infinity
9901
1067 pt 19.84429 11.65576 11.35910 Infinity 0.635981 Infinity
9902
1068 pt 20.29169 8.60379 11.46899 Infinity 0.645464 Infinity
9903
1069 pt 14.24261 15.54850 11.91661 -Infinity 0.696010 -Infinity
9904
1070 pt 14.42127 13.96234 10.90505 Infinity 0.735711 Infinity
9905
1071 pt 15.37542 16.88248 11.20367 Infinity 0.665135 Infinity
9906
1072 pt 18.29873 13.25481 20.01467 -Infinity 0.535777 -Infinity
9907
1073 pt 18.56625 15.10157 20.31297 Infinity 0.518119 Infinity
9908
1074 pt 19.95322 12.34987 20.13633 Infinity 0.520401 Infinity
9909
1075 pt 20.88557 8.61600 16.89173 -Infinity 0.563681 -Infinity
9910
1076 pt 21.94351 7.99195 15.45563 Infinity 0.566897 Infinity
9911
1077 pt 21.96533 9.60164 18.08910 Infinity 0.530853 Infinity
9912
1078 pt 10.59270 15.77111 19.59745 -Infinity 0.605125 -Infinity
9913
1079 pt 10.73959 17.64399 19.39295 Infinity 0.586974 Infinity
9914
1080 pt 11.68370 14.90918 18.31766 Infinity 0.626200 Infinity
9915
1081 pt 10.49787 8.34353 11.76117 -Infinity 0.911437 -Infinity
9916
1082 pt 11.20180 7.01539 12.90640 Infinity 0.862345 Infinity
9917
1083 pt 9.29401 9.43499 12.72580 Infinity 0.893623 Infinity
9923
1 a.u. = 0.171524 10**(-8) dyn/esu
9925
Atom X Y Z Electric field (a.u.)
9927
------------------------------------------------------------------------------------------------
9928
------------------------------------------------------------------------
9930
------------------------------------------------------------------------
9931
quantum energy -114.253172310 (-.299972E+06 kjoule/mol)
9932
quantum energy adjusted -114.253172310 (-.299972E+06 kjoule/mol)
9933
quantum energy internal -114.356059002 (-.300242E+06 kjoule/mol)
9934
Bq-nuclear energy 0.102886692 (0.270129E+03 kjoule/mol)
9935
Bq-electron energy 0.000000000 (0.000000E+00 kjoule/mol)
9936
classical energy -7.460607191 (-.195878E+05 kjoule/mol)
9937
total qmmm energy -121.713779502 (-.319560E+06 kjoule/mol)
9938
------------------------------------------------------------------------
9940
reducing step 2.50000000000000005E-3 1.4308831743654299E-4 1.00000000000000008E-5
9941
Total number of active Bq charges 1083
9942
frozen_density,esp T T
9943
disabling frozen_density,esp due to active qm atoms
9949
ao basis = "ao basis"
9956
input vectors = /home/d3p975/codes/nwchem-svn/nwchem/QA/tests/tce_qmmm_ccsd_opt/perm/fmd.movecs
9957
output vectors = /home/d3p975/codes/nwchem-svn/nwchem/QA/tests/tce_qmmm_ccsd_opt/perm/fmd.movecs
9962
Summary of "ao basis" -> "ao basis" (cartesian)
9963
------------------------------------------------------------------------------
9964
Tag Description Shells Functions and Types
9965
---------------- ------------------------------ ------ ---------------------
9966
O cc-pVDZ 6 15 3s2p1d
9967
C cc-pVDZ 6 15 3s2p1d
9972
Forming initial guess at 449.8s
9975
Loading old vectors from job with title :
9979
Nuclear repulsion energy = 31.066871353309107
9980
Bq nuclear interaction energy = 0.10303831470839242
9982
Starting SCF solution at 449.8s
9986
----------------------------------------------
9987
Quadratically convergent ROHF
9989
Convergence threshold : 1.000E-10
9990
Maximum no. of iterations : 200
9991
Final Fock-matrix accuracy: 0.000E+00
9992
----------------------------------------------
9995
#quartets = 1.471E+04 #integrals = 3.768E+05 #direct = 0.0% #cached =100.0%
9998
Integral file = /scratch/fmd.aoints.00
9999
Record size in doubles = 65536 No. of integs per rec = 43688
10000
Max. records in memory = 2 Max. records in file = 225827
10001
No. of bits per label = 8 No. of bits per value = 64
10004
File balance: exchanges= 0 moved= 0 time= 0.0
10006
Nuclear repulsion energy = 31.066871353309107
10007
Bq nuclear interaction energy = 0.10303831470839242
10009
iter energy gnorm gmax time
10010
----- ------------------- --------- --------- --------
10011
1 -113.9148587703 2.28E-03 6.28E-04 401.9
10012
Nuclear repulsion energy = 31.066871353309107
10013
Bq nuclear interaction energy = 0.10303831470839242
10014
2 -113.9148591700 3.33E-06 1.39E-06 402.1
10015
Nuclear repulsion energy = 31.066871353309107
10016
Bq nuclear interaction energy = 0.10303831470839242
10017
3 -113.9148591700 8.79E-12 3.13E-12 402.6
10018
Nuclear repulsion energy = 31.066871353309107
10019
Bq nuclear interaction energy = 0.10303831470839242
10025
Total SCF energy = -113.914859169959
10026
One-electron energy = -217.255892644461
10027
Two-electron energy = 72.171123806484
10028
Nuclear repulsion energy = 31.169909668017
10030
Time for solution = 0.8s
10056
ROHF Final Molecular Orbital Analysis
10057
-------------------------------------
10059
Vector 2 Occ=2.000000E+00 E=-1.134258E+01
10060
MO Center= 2.3E-01, 2.2E+00, -5.9E-01, r^2= 2.7E-02
10061
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
10062
----- ------------ --------------- ----- ------------ ---------------
10065
Vector 3 Occ=2.000000E+00 E=-1.396479E+00
10066
MO Center= -5.8E-01, 1.8E+00, -5.6E-01, r^2= 5.0E-01
10067
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
10068
----- ------------ --------------- ----- ------------ ---------------
10069
2 0.409187 1 O s 3 0.388147 1 O s
10070
17 0.207593 2 C s 19 -0.164107 2 C px
10072
Vector 4 Occ=2.000000E+00 E=-8.540960E-01
10073
MO Center= 1.8E-01, 2.1E+00, -5.8E-01, r^2= 1.4E+00
10074
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
10075
----- ------------ --------------- ----- ------------ ---------------
10076
17 0.355168 2 C s 3 -0.260932 1 O s
10077
18 0.234461 2 C s 31 0.228155 3 H s
10078
36 0.225590 4 H s 2 -0.192169 1 O s
10081
Vector 5 Occ=2.000000E+00 E=-6.771199E-01
10082
MO Center= -2.2E-02, 2.0E+00, -5.8E-01, r^2= 1.3E+00
10083
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
10084
----- ------------ --------------- ----- ------------ ---------------
10085
21 0.368637 2 C pz 6 0.334380 1 O pz
10086
36 -0.235721 4 H s 31 0.232755 3 H s
10089
Vector 6 Occ=2.000000E+00 E=-6.506650E-01
10090
MO Center= -5.0E-01, 1.8E+00, -5.5E-01, r^2= 1.3E+00
10091
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
10092
----- ------------ --------------- ----- ------------ ---------------
10093
4 0.436917 1 O px 19 -0.350902 2 C px
10094
7 0.289889 1 O px 3 -0.255027 1 O s
10095
5 0.203660 1 O py 20 -0.170812 2 C py
10097
Vector 7 Occ=2.000000E+00 E=-5.270919E-01
10098
MO Center= -5.5E-01, 1.8E+00, -5.6E-01, r^2= 9.2E-01
10099
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
10100
----- ------------ --------------- ----- ------------ ---------------
10101
5 0.431509 1 O py 8 0.312963 1 O py
10102
20 0.262922 2 C py 4 -0.192805 1 O px
10103
6 0.182666 1 O pz 23 0.150448 2 C py
10105
Vector 8 Occ=2.000000E+00 E=-4.361831E-01
10106
MO Center= -2.6E-01, 1.9E+00, -5.7E-01, r^2= 1.6E+00
10107
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
10108
----- ------------ --------------- ----- ------------ ---------------
10109
6 0.485914 1 O pz 9 0.408109 1 O pz
10110
31 -0.255830 3 H s 36 0.255084 4 H s
10111
21 -0.216618 2 C pz 5 -0.164144 1 O py
10113
Vector 9 Occ=0.000000E+00 E= 1.471209E-01
10114
MO Center= 4.2E-02, 2.1E+00, -5.8E-01, r^2= 1.7E+00
10115
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
10116
----- ------------ --------------- ----- ------------ ---------------
10117
23 0.584844 2 C py 8 -0.417766 1 O py
10118
20 0.370360 2 C py 5 -0.300425 1 O py
10119
22 -0.276128 2 C px 24 0.250601 2 C pz
10120
7 0.195980 1 O px 9 -0.176094 1 O pz
10121
19 -0.173652 2 C px 21 0.157140 2 C pz
10123
Vector 10 Occ=0.000000E+00 E= 2.234456E-01
10124
MO Center= 9.4E-01, 2.4E+00, -4.5E-01, r^2= 4.0E+00
10125
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
10126
----- ------------ --------------- ----- ------------ ---------------
10127
18 1.913329 2 C s 32 -1.501111 3 H s
10128
37 -1.238487 4 H s 22 0.606073 2 C px
10129
23 0.257885 2 C py 19 0.166109 2 C px
10131
Vector 11 Occ=0.000000E+00 E= 2.912524E-01
10132
MO Center= 9.8E-01, 2.6E+00, -7.9E-01, r^2= 4.1E+00
10133
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
10134
----- ------------ --------------- ----- ------------ ---------------
10135
37 1.930867 4 H s 32 -1.748507 3 H s
10136
24 1.292947 2 C pz 23 -0.448999 2 C py
10137
21 0.340790 2 C pz 9 -0.273567 1 O pz
10140
Vector 12 Occ=0.000000E+00 E= 3.719720E-01
10141
MO Center= 1.1E-01, 2.1E+00, -5.9E-01, r^2= 3.0E+00
10142
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
10143
----- ------------ --------------- ----- ------------ ---------------
10144
3 1.815626 1 O s 22 1.557010 2 C px
10145
18 -1.385778 2 C s 23 0.740086 2 C py
10146
7 0.621951 1 O px 8 0.297498 1 O py
10148
Vector 13 Occ=0.000000E+00 E= 6.836591E-01
10149
MO Center= 6.7E-01, 2.5E+00, -5.6E-01, r^2= 1.7E+00
10150
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
10151
----- ------------ --------------- ----- ------------ ---------------
10152
18 1.048389 2 C s 31 -0.765177 3 H s
10153
36 -0.747594 4 H s 30 -0.297023 2 C dzz
10154
22 0.290129 2 C px 29 0.282461 2 C dyz
10155
23 0.279145 2 C py 17 -0.214414 2 C s
10156
32 0.198488 3 H s 16 -0.196005 2 C s
10158
Vector 14 Occ=0.000000E+00 E= 6.959748E-01
10159
MO Center= 3.0E-01, 2.1E+00, -6.3E-01, r^2= 1.9E+00
10160
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
10161
----- ------------ --------------- ----- ------------ ---------------
10162
23 0.892554 2 C py 20 -0.865916 2 C py
10163
22 -0.458442 2 C px 19 0.400878 2 C px
10164
21 -0.360994 2 C pz 24 0.357697 2 C pz
10166
Vector 15 Occ=0.000000E+00 E= 7.563218E-01
10167
MO Center= 5.1E-02, 2.1E+00, -5.9E-01, r^2= 2.3E+00
10168
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
10169
----- ------------ --------------- ----- ------------ ---------------
10170
24 1.932337 2 C pz 36 0.704220 4 H s
10171
31 -0.691512 3 H s 32 -0.623636 3 H s
10172
37 0.622722 4 H s 23 -0.620932 2 C py
10173
22 0.375106 2 C px 9 -0.325325 1 O pz
10174
6 -0.297130 1 O pz 21 -0.278957 2 C pz
10176
Vector 16 Occ=0.000000E+00 E= 8.353467E-01
10177
MO Center= 5.5E-01, 2.3E+00, -5.8E-01, r^2= 2.5E+00
10178
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
10179
----- ------------ --------------- ----- ------------ ---------------
10180
24 1.503662 2 C pz 32 -1.500369 3 H s
10181
37 1.450300 4 H s 21 -0.763457 2 C pz
10182
27 0.524375 2 C dxz 23 -0.479623 2 C py
10183
36 -0.365665 4 H s 31 0.352637 3 H s
10184
22 0.325867 2 C px 29 0.265687 2 C dyz
10186
Vector 17 Occ=0.000000E+00 E= 8.947578E-01
10187
MO Center= -2.1E-02, 2.0E+00, -5.8E-01, r^2= 1.5E+00
10188
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
10189
----- ------------ --------------- ----- ------------ ---------------
10190
22 0.953898 2 C px 18 0.928676 2 C s
10191
19 -0.904781 2 C px 37 -0.536890 4 H s
10192
23 0.478207 2 C py 32 -0.472599 3 H s
10193
20 -0.445362 2 C py 7 -0.423338 1 O px
10194
26 -0.307798 2 C dxy 4 -0.265805 1 O px
10196
Vector 18 Occ=0.000000E+00 E= 9.598154E-01
10197
MO Center= 5.7E-01, 2.3E+00, -6.3E-01, r^2= 2.7E+00
10198
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
10199
----- ------------ --------------- ----- ------------ ---------------
10200
18 4.068955 2 C s 17 -1.677309 2 C s
10201
37 -1.314073 4 H s 32 -1.253647 3 H s
10202
16 -0.786722 2 C s 22 0.475296 2 C px
10203
3 -0.458382 1 O s 28 -0.288538 2 C dyy
10204
30 -0.242160 2 C dzz 23 0.235413 2 C py
10209
x = -0.59796436 y = 3.58534175 z = -1.07137574
10211
moments of inertia (a.u.)
10213
15.130646204408 -18.064256420745 0.487662068468
10214
-18.064256420745 44.082347746396 2.590759891963
10215
0.487662068468 2.590759891963 47.909576803278
10217
Mulliken analysis of the total density
10218
--------------------------------------
10220
Atom Charge Shell Charges
10221
----------- ------ -------------------------------------------------------
10222
1 O 8 8.47 2.00 0.83 0.92 2.79 1.90 0.02
10223
2 C 6 5.69 2.00 0.70 0.44 1.83 0.59 0.12
10224
3 H 1 0.93 0.75 0.15 0.03
10225
4 H 1 0.92 0.75 0.14 0.03
10227
Multipole analysis of the density wrt the origin
10228
------------------------------------------------
10230
L x y z total open nuclear
10231
- - - - ----- ---- -------
10232
0 0 0 0 0.000000 0.000000 16.000000
10234
1 1 0 0 1.398269 0.000000 -7.561915
10235
1 0 1 0 0.651723 0.000000 58.335269
10236
1 0 0 1 -0.074893 0.000000 -17.224698
10238
2 2 0 0 -10.033456 0.000000 26.714157
10239
2 1 1 0 4.664244 0.000000 -16.871507
10240
2 1 0 1 -1.465865 0.000000 8.287349
10241
2 0 2 0 -3.689022 0.000000 218.611060
10242
2 0 1 1 -1.062504 0.000000 -65.067253
10243
2 0 0 2 -8.051582 0.000000 24.124450
10245
Nuclear repulsion energy = 31.066871353309107
10246
Bq nuclear interaction energy = 0.10303831470839242
10248
Parallel integral file used 27 records with 0 large values
10250
NWChem Extensible Many-Electron Theory Module
10251
---------------------------------------------
10253
======================================================
10254
This portion of the program was automatically
10255
generated by a Tensor Contraction Engine (TCE).
10256
The development of this portion of the program
10257
and TCE was supported by US Department of Energy,
10258
Office of Science, Office of Basic Energy Science.
10259
TCE is a product of Battelle and PNNL.
10260
Please cite: S.Hirata, J.Phys.Chem.A 107, 9887 (2003).
10261
======================================================
10263
General Information
10264
-------------------
10265
Number of processors : 27
10266
Wavefunction type : Restricted Hartree-Fock
10267
No. of electrons : 16
10268
Alpha electrons : 8
10270
No. of orbitals : 80
10271
Alpha orbitals : 40
10273
Alpha frozen cores : 0
10274
Beta frozen cores : 0
10275
Alpha frozen virtuals : 0
10276
Beta frozen virtuals : 0
10277
Spin multiplicity : singlet
10278
Number of AO functions : 40
10279
Number of AO shells : 18
10280
Use of symmetry is : off
10281
Symmetry adaption is : off
10282
Schwarz screening : 0.00E+00
10284
Correlation Information
10285
-----------------------
10286
Calculation type : Coupled-cluster singles & doubles
10287
Perturbative correction : none
10288
Max iterations : 200
10289
Residual threshold : 0.10E-05
10290
T(0) DIIS level shift : 0.00E+00
10291
L(0) DIIS level shift : 0.00E+00
10292
T(1) DIIS level shift : 0.00E+00
10293
L(1) DIIS level shift : 0.00E+00
10294
T(R) DIIS level shift : 0.00E+00
10295
T(I) DIIS level shift : 0.00E+00
10296
CC-T/L Amplitude update : 5-th order DIIS
10297
I/O scheme : Global Array Library
10301
Available GA space size is 2654059007 doubles
10302
Available MA space size is 49130121 doubles
10304
Maximum block size supplied by input
10305
Maximum block size 12 doubles
10309
Block Spin Irrep Size Offset Alpha
10310
-------------------------------------------------
10311
1 alpha a 8 doubles 0 1
10312
2 beta a 8 doubles 8 1
10313
3 alpha a 10 doubles 16 3
10314
4 alpha a 11 doubles 26 4
10315
5 alpha a 11 doubles 37 5
10316
6 beta a 10 doubles 48 3
10317
7 beta a 11 doubles 58 4
10318
8 beta a 11 doubles 69 5
10320
Global array virtual files algorithm will be used
10322
Parallel file system coherency ......... OK
10324
#quartets = 1.471E+04 #integrals = 3.768E+05 #direct = 0.0% #cached =100.0%
10327
Integral file = /scratch/fmd.aoints.00
10328
Record size in doubles = 65536 No. of integs per rec = 43688
10329
Max. records in memory = 2 Max. records in file = 225827
10330
No. of bits per label = 8 No. of bits per value = 64
10333
File balance: exchanges= 0 moved= 0 time= 0.0
10336
Fock matrix recomputed
10337
1-e file size = 1600
10338
1-e file name = /scratch/fmd.f1
10339
1-e file handle = -993
10340
Cpu & wall time / sec 0.1 0.1
10342
2-e (intermediate) file size = 5769600
10343
2-e (intermediate) file name = /scratch/fmd.v2i
10344
Cpu & wall time / sec 0.1 0.1
10346
2-e file size = 3566009
10347
2-e file name = /scratch/fmd.v2
10348
2-e file handle = -991
10349
Cpu & wall time / sec 0.1 0.1
10352
t1 file name = /scratch/fmd.t1
10353
t1 file handle = -992
10354
Cpu & wall time / sec 0.0
10355
before tce_guess_t2
10358
t2 file size = 109248
10359
t2 file name = /scratch/fmd.t2
10360
t2 file handle = -989
10361
Cpu & wall time / sec 0.0
10364
-----------------------------------------------------------------
10365
Iter Residuum Correlation Cpu Wall V2*C2
10366
-----------------------------------------------------------------
10367
1 0.1516687458254 -0.3226744409562 0.2 0.2 0.0
10368
2 0.0552299530363 -0.3255732247010 0.2 0.2 0.0
10369
3 0.0173536281917 -0.3360202111500 0.2 0.2 0.0
10370
4 0.0105240658184 -0.3365589488380 0.2 0.2 0.0
10371
5 0.0044657073657 -0.3377895429284 0.2 0.2 0.0
10372
MICROCYCLE DIIS UPDATE: 5 5
10373
6 0.0016731691259 -0.3382151456040 0.1 0.2 0.0
10374
7 0.0007042650514 -0.3383246291744 0.2 0.2 0.0
10375
8 0.0003953243751 -0.3383283371841 0.2 0.2 0.0
10376
9 0.0002204215383 -0.3383326933124 0.2 0.2 0.0
10377
10 0.0001319856774 -0.3383377995347 0.2 0.2 0.0
10378
MICROCYCLE DIIS UPDATE: 10 5
10379
11 0.0000238394634 -0.3383443747526 0.2 0.2 0.0
10380
12 0.0000133430848 -0.3383449285232 0.2 0.2 0.0
10381
13 0.0000091235418 -0.3383459353665 0.2 0.2 0.0
10382
14 0.0000069170282 -0.3383459881288 0.2 0.2 0.0
10383
15 0.0000053171500 -0.3383461087521 0.2 0.2 0.0
10384
MICROCYCLE DIIS UPDATE: 15 5
10385
16 0.0000011589235 -0.3383460998832 0.2 0.2 0.0
10386
17 0.0000005940367 -0.3383461900082 0.2 0.2 0.0
10387
-----------------------------------------------------------------
10388
Iterations converged
10389
CCSD correlation energy / hartree = -0.338346190008158
10390
CCSD total energy / hartree = -114.253205359967239
10392
Singles contributions
10394
Doubles contributions
10395
9a (alpha) 9a (beta ) --- 7a (alpha) 7a (beta ) -0.1171914693
10397
CCSD Lambda iterations
10398
--------------------------------------
10399
Iter Residuum Cpu Wall
10400
--------------------------------------
10401
1 1.6756278228780 0.5 0.6
10402
2 0.0292913437374 0.5 0.6
10403
3 0.0031739465477 0.4 0.6
10404
4 0.0003665637966 0.5 0.6
10405
5 0.0001064085682 0.5 0.6
10406
MICROCYCLE DIIS UPDATE: 5 5
10407
6 0.0000238555927 0.5 0.6
10408
7 0.0000046012823 0.5 0.6
10409
8 0.0000014773794 0.5 0.6
10410
9 0.0000004786839 0.5 0.6
10411
--------------------------------------
10412
Iterations converged
10414
MO Z-VEC iterations
10415
--------------------------------------
10416
Iter Residuum Cpu Wall
10417
--------------------------------------
10418
1 0.0234732891743 0.0 0.0
10419
2 0.0076474505884 0.0 0.0
10420
3 0.0030541293283 0.0 0.0
10421
4 0.0027594834236 0.0 0.0
10422
5 0.0017179897583 0.0 0.0
10423
MICROCYCLE DIIS UPDATE: 5 5
10424
6 0.0003186824642 0.0 0.0
10425
7 0.0001719233856 0.0 0.0
10426
8 0.0000809034875 0.0 0.0
10427
9 0.0000687821218 0.0 0.0
10428
10 0.0000364093094 0.0 0.0
10429
MICROCYCLE DIIS UPDATE: 10 5
10430
11 0.0000046189866 0.0 0.0
10431
12 0.0000022980833 0.0 0.0
10432
13 0.0000011526039 0.0 0.0
10433
14 0.0000009692130 0.0 0.0
10434
--------------------------------------
10435
Iterations converged
10437
NWChem Gradients Module
10438
-----------------------
10442
wavefunction = TCE RHF CCSD
10446
ccsd ENERGY GRADIENTS
10448
atom coordinates gradient
10450
1 O -1.630681 3.087460 -1.028037 0.014539 0.002598 0.002505
10451
2 C 0.438583 4.084575 -1.115125 -0.001618 -0.000656 0.000235
10452
3 H 1.757699 4.021935 0.509702 -0.000296 0.000050 -0.000113
10453
4 H 1.094333 5.106201 -2.819352 -0.000946 0.000352 0.000426
10455
----------------------------------------
10456
| Time | 1-e(secs) | 2-e(secs) |
10457
----------------------------------------
10458
| CPU | 0.08 | 0.12 |
10459
----------------------------------------
10460
| WALL | 0.14 | 0.14 |
10461
----------------------------------------
10463
Parallel integral file used 27 records with 0 large values
10465
Bq nuclear interaction energy = 0.10303831470839242
10466
Calculating forces on classical charges
10467
---------------------------------------
10468
Total number of charges 1083
10469
NWChem Property Module
10470
----------------------
10474
---------------------------------------------
10475
Electrostatic potential/diamagnetic shielding
10476
---------------------------------------------
10478
1 a.u. = 9.07618 esu/cm ( or statvolts )
10479
Point X Y Z Total Potential(a.u.) Diamagnetic shielding(a.u.) External Bq potential
10480
1 pt -10.84723 -20.95208 -11.78149 -Infinity 0.557447 -Infinity
10481
2 pt -9.86953 -19.74679 -10.70332 Infinity 0.594231 Infinity
10482
3 pt -12.23975 -21.72297 -10.76282 Infinity 0.541866 Infinity
10483
4 pt -13.12434 -10.66222 -18.89847 -Infinity 0.613878 -Infinity
10484
5 pt -13.17484 -12.55123 -18.91050 Infinity 0.588757 Infinity
10485
6 pt -11.56406 -10.06711 -19.78301 Infinity 0.623503 Infinity
10486
7 pt -16.79699 -8.14740 -16.53411 -Infinity 0.632341 -Infinity
10487
8 pt -17.27885 -9.23445 -15.06537 Infinity 0.632772 Infinity
10488
9 pt -15.30719 -8.90380 -17.41697 Infinity 0.632070 Infinity
10489
10 pt -17.30899 -10.90330 -12.00969 -Infinity 0.648097 -Infinity
10490
11 pt -18.50875 -9.94796 -10.90562 Infinity 0.652606 Infinity
10491
12 pt -16.21980 -12.01828 -10.94125 Infinity 0.661191 Infinity
10492
13 pt -12.84228 -7.70715 -11.71753 -Infinity 0.808866 -Infinity
10493
14 pt -11.59319 -8.74070 -10.74666 Infinity 0.835234 Infinity
10494
15 pt -14.34453 -8.77083 -12.14522 Infinity 0.742109 Infinity
10495
16 pt -16.85207 -17.68012 -11.06738 -Infinity 0.559558 -Infinity
10496
17 pt -15.76933 -16.30361 -10.35748 Infinity 0.599177 Infinity
10497
18 pt -18.60010 -17.53384 -10.36447 Infinity 0.546349 Infinity
10498
19 pt -7.79409 -18.14788 -8.64780 -Infinity 0.662500 -Infinity
10499
20 pt -7.25182 -19.87410 -8.10268 Infinity 0.629513 Infinity
10500
21 pt -7.82011 -16.99306 -7.15222 Infinity 0.705638 Infinity
10501
22 pt -14.30793 -19.61047 -15.39045 -Infinity 0.523824 -Infinity
10502
23 pt -12.76610 -20.03959 -14.38563 Infinity 0.537702 Infinity
10503
24 pt -15.61430 -18.85790 -14.25111 Infinity 0.531972 Infinity
10504
25 pt -9.64834 -10.74056 -8.91993 -Infinity 0.855923 -Infinity
10505
26 pt -9.72123 -10.58859 -7.03774 Infinity 0.894208 Infinity
10506
27 pt -7.84571 -10.70878 -9.48616 Infinity 0.882551 Infinity
10507
28 pt -14.24335 -13.62735 -8.86930 -Infinity 0.686019 -Infinity
10508
29 pt -14.63666 -13.92472 -7.04503 Infinity 0.688597 Infinity
10509
30 pt -12.50958 -12.89285 -9.02936 Infinity 0.732239 Infinity
10510
31 pt 4.17232 -20.91808 -8.89509 -Infinity 0.610424 -Infinity
10511
32 pt 5.42294 -22.28335 -8.51688 Infinity 0.579034 Infinity
10512
33 pt 3.29177 -21.30218 -10.52241 Infinity 0.593601 Infinity
10513
34 pt 4.77662 -17.49374 -15.08387 -Infinity 0.617175 -Infinity
10514
35 pt 6.09921 -17.11456 -13.78847 Infinity 0.633686 Infinity
10515
36 pt 4.17899 -19.27403 -14.87300 Infinity 0.588781 Infinity
10516
37 pt -4.46368 -10.02340 -10.08083 -Infinity 0.951332 -Infinity
10517
38 pt -3.35377 -11.34455 -10.85137 Infinity 0.883442 Infinity
10518
39 pt -3.47825 -9.03698 -8.80530 Infinity 1.057370 Infinity
10519
40 pt -1.01909 -20.36332 -12.13304 -Infinity 0.605324 -Infinity
10520
41 pt -1.27337 -21.50242 -13.61926 Infinity 0.569269 Infinity
10521
42 pt -1.11257 -21.37482 -10.53955 Infinity 0.598154 Infinity
10522
43 pt -0.08710 -17.77603 -20.87780 -Infinity 0.548325 -Infinity
10523
44 pt -0.21102 -18.93205 -19.38806 Infinity 0.550310 Infinity
10524
45 pt 0.74838 -18.68106 -22.31096 Infinity 0.518739 Infinity
10525
46 pt 4.93316 -8.49330 -13.92386 -Infinity 0.863024 -Infinity
10526
47 pt 3.82294 -9.85487 -14.61998 Infinity 0.814446 Infinity
10527
48 pt 4.25572 -6.80449 -14.43383 Infinity 0.905826 Infinity
10528
49 pt 7.03826 -16.37434 -19.51718 -Infinity 0.565966 -Infinity
10529
50 pt 6.72084 -17.79080 -20.72711 Infinity 0.533572 Infinity
10530
51 pt 6.03642 -16.65551 -17.93974 Infinity 0.587923 Infinity
10531
52 pt -4.71589 -16.93543 -12.62987 -Infinity 0.667927 -Infinity
10532
53 pt -3.37889 -18.26962 -12.57117 Infinity 0.642591 Infinity
10533
54 pt -5.96764 -17.23528 -11.24630 Infinity 0.671425 Infinity
10534
55 pt -4.53576 -11.35453 -20.77145 -Infinity 0.637960 -Infinity
10535
56 pt -4.98153 -12.25796 -19.17265 Infinity 0.653164 Infinity
10536
57 pt -3.82524 -12.58687 -22.01546 Infinity 0.599236 Infinity
10537
58 pt -0.95777 -13.55462 -11.75495 -Infinity 0.789881 -Infinity
10538
59 pt 0.47152 -14.29956 -10.76841 Infinity 0.783130 Infinity
10539
60 pt -2.27347 -14.87723 -12.05609 Infinity 0.740732 Infinity
10540
61 pt 2.07898 -12.46039 -15.73867 -Infinity 0.728694 -Infinity
10541
62 pt 2.94448 -14.11613 -16.02239 Infinity 0.681105 Infinity
10542
63 pt 0.77922 -12.65244 -14.38043 Infinity 0.758430 Infinity
10543
64 pt -6.00161 -13.76499 -16.51296 -Infinity 0.669726 -Infinity
10544
65 pt -7.05953 -12.50415 -15.58444 Infinity 0.706346 Infinity
10545
66 pt -5.38351 -15.08098 -15.30583 Infinity 0.666616 Infinity
10546
67 pt 7.22250 -11.46518 -21.36665 -Infinity 0.604132 -Infinity
10547
68 pt 7.28988 -13.27503 -20.82724 Infinity 0.588658 Infinity
10548
69 pt 5.42111 -10.94083 -21.59271 Infinity 0.617984 Infinity
10549
70 pt 3.25645 -15.52295 -9.20440 -Infinity 0.755411 -Infinity
10550
71 pt 3.17872 -17.38272 -8.87840 Infinity 0.703401 Infinity
10551
72 pt 4.99111 -15.05733 -9.79195 Infinity 0.748215 Infinity
10552
73 pt 0.15308 -9.35996 -19.53030 -Infinity 0.707774 -Infinity
10553
74 pt -1.61591 -9.88579 -19.93682 Infinity 0.688150 Infinity
10554
75 pt 0.85432 -10.48967 -18.18751 Infinity 0.718850 Infinity
10555
76 pt -0.87106 -7.57184 -7.14324 -Infinity 1.252130 -Infinity
10556
77 pt 0.40401 -6.36169 -7.83663 Infinity 1.316183 Infinity
10557
78 pt 0.00401 -9.13610 -6.54458 Infinity 1.148165 Infinity
10558
79 pt 8.90601 -16.16124 -12.07935 -Infinity 0.651227 -Infinity
10559
80 pt 10.06344 -16.80112 -13.42915 Infinity 0.611733 Infinity
10560
81 pt 9.41687 -16.89019 -10.41240 Infinity 0.648349 Infinity
10561
82 pt 15.56925 -12.16174 -16.15768 -Infinity 0.589074 -Infinity
10562
83 pt 13.87591 -11.50911 -15.63069 Infinity 0.627417 Infinity
10563
84 pt 15.38857 -13.18072 -17.73885 Infinity 0.560314 Infinity
10564
85 pt 10.46898 -9.04918 -18.18009 -Infinity 0.666633 -Infinity
10565
86 pt 10.20628 -9.86868 -16.49769 Infinity 0.690366 Infinity
10566
87 pt 9.37495 -9.89184 -19.47008 Infinity 0.642016 Infinity
10567
88 pt 11.63257 -16.92692 -16.83802 -Infinity 0.558470 -Infinity
10568
89 pt 12.95384 -16.38645 -18.07624 Infinity 0.541416 Infinity
10569
90 pt 9.94404 -16.94840 -17.68625 Infinity 0.561876 Infinity
10570
91 pt 9.45737 -11.17968 -13.70334 -Infinity 0.729977 -Infinity
10571
92 pt 7.78457 -10.30611 -13.60496 Infinity 0.778665 Infinity
10572
93 pt 9.29336 -12.93519 -13.02337 Infinity 0.704670 Infinity
10573
94 pt 14.57353 -7.01191 -9.89828 -Infinity 0.780262 -Infinity
10574
95 pt 13.92517 -8.75874 -9.58316 Infinity 0.765965 Infinity
10575
96 pt 13.16652 -5.92158 -10.53277 Infinity 0.832280 Infinity
10576
97 pt 14.52069 -14.46189 -8.29746 -Infinity 0.649013 -Infinity
10577
98 pt 14.24143 -13.15410 -6.96226 Infinity 0.690918 Infinity
10578
99 pt 13.17911 -15.78696 -8.17317 Infinity 0.644053 Infinity
10579
100 pt 15.52351 -19.18550 -13.76146 -Infinity 0.521582 -Infinity
10580
101 pt 16.42370 -17.59039 -13.29631 Infinity 0.536660 Infinity
10581
102 pt 14.11819 -18.79000 -14.96134 Infinity 0.529850 Infinity
10582
103 pt 17.80979 -14.69127 -12.22446 -Infinity 0.566400 -Infinity
10583
104 pt 16.67758 -14.52177 -10.72099 Infinity 0.596152 Infinity
10584
105 pt 17.13729 -13.63880 -13.64260 Infinity 0.576620 Infinity
10585
106 pt -17.30088 3.37273 -20.58379 -Infinity 0.622212 -Infinity
10586
107 pt -16.62415 2.25015 -19.22257 Infinity 0.659035 Infinity
10587
108 pt -16.62167 2.81552 -22.25689 Infinity 0.601412 Infinity
10588
109 pt -7.95546 -4.07308 -19.46214 -Infinity 0.752025 -Infinity
10589
110 pt -6.18604 -3.60039 -18.99653 Infinity 0.794188 Infinity
10590
111 pt -9.00309 -4.21660 -17.89595 Infinity 0.784408 Infinity
10591
112 pt -10.24997 -4.43801 -14.87328 -Infinity 0.856391 -Infinity
10592
113 pt -11.59766 -5.53858 -14.13602 Infinity 0.825390 Infinity
10593
114 pt -8.61823 -4.74927 -13.97239 Infinity 0.921762 Infinity
10594
115 pt -12.87216 5.50573 -13.37256 -Infinity 0.913707 -Infinity
10595
116 pt -11.97013 3.85525 -13.55513 Infinity 0.945872 Infinity
10596
117 pt -14.43301 5.26042 -12.33591 Infinity 0.891793 Infinity
10597
118 pt -13.27301 -3.61430 -8.55498 -Infinity 0.977169 -Infinity
10598
119 pt -13.17245 -4.99408 -9.84230 Infinity 0.910804 Infinity
10599
120 pt -11.68926 -2.58476 -8.60855 Infinity 1.084839 Infinity
10600
121 pt -15.46697 0.10534 -17.21923 -Infinity 0.719130 -Infinity
10601
122 pt -14.68209 -0.01146 -15.50418 Infinity 0.780287 Infinity
10602
123 pt -16.81971 -1.20380 -17.38452 Infinity 0.680235 Infinity
10603
124 pt -8.46726 -1.50309 -9.49302 -Infinity 1.269329 -Infinity
10604
125 pt -7.00353 -0.32040 -9.32035 Infinity 1.432830 Infinity
10605
126 pt -7.86071 -3.16487 -10.15760 Infinity 1.188232 Infinity
10606
127 pt -10.80317 2.83239 -18.58696 -Infinity 0.787405 -Infinity
10607
128 pt -12.46317 1.98572 -18.90101 Infinity 0.743905 Infinity
10608
129 pt -10.22100 2.44781 -16.83076 Infinity 0.863263 Infinity
10609
130 pt -18.93770 -4.42329 -13.32448 -Infinity 0.681557 -Infinity
10610
131 pt -20.71118 -4.99153 -13.00366 Infinity 0.642067 Infinity
10611
132 pt -18.12737 -5.56876 -14.59032 Infinity 0.667522 Infinity
10612
133 pt -21.03741 2.75883 -16.81041 -Infinity 0.619378 -Infinity
10613
134 pt -20.11611 3.10195 -18.42427 Infinity 0.611948 Infinity
10614
135 pt -21.15686 0.89288 -16.53652 Infinity 0.618077 Infinity
10615
136 pt -19.60617 -0.61449 -9.83694 -Infinity 0.749408 -Infinity
10616
137 pt -21.45542 -0.39889 -10.16080 Infinity 0.692556 Infinity
10617
138 pt -18.91455 -1.94313 -10.98909 Infinity 0.742336 Infinity
10618
139 pt -19.79803 -2.65694 -19.03409 -Infinity 0.591575 -Infinity
10619
140 pt -18.76456 -3.87745 -20.04076 Infinity 0.585442 Infinity
10620
141 pt -21.29640 -3.54918 -18.30617 Infinity 0.573796 Infinity
10621
142 pt -17.01944 3.90998 -10.52095 -Infinity 0.843905 -Infinity
10622
143 pt -18.20275 5.00406 -11.50777 Infinity 0.779307 Infinity
10623
144 pt -17.85585 2.25868 -10.14054 Infinity 0.818588 Infinity
10624
145 pt -10.73112 0.64354 -13.77880 -Infinity 0.967242 -Infinity
10625
146 pt -10.66490 -1.09408 -14.51863 Infinity 0.916202 Infinity
10626
147 pt -10.09645 0.59630 -11.99946 Infinity 1.080819 Infinity
10627
148 pt -19.96421 6.69706 -13.78260 -Infinity 0.683859 -Infinity
10628
149 pt -21.04511 8.20048 -14.16001 Infinity 0.646773 Infinity
10629
150 pt -20.57727 5.21307 -14.77908 Infinity 0.658264 Infinity
10630
151 pt 4.27642 3.52693 -17.96848 -Infinity 0.909321 -Infinity
10631
152 pt 4.91575 3.51724 -19.74675 Infinity 0.821403 Infinity
10632
153 pt 3.52390 5.21574 -17.57774 Infinity 0.935864 Infinity
10633
154 pt -6.17638 -5.55573 -12.02477 -Infinity 1.041880 -Infinity
10634
155 pt -5.82558 -7.30898 -11.41311 Infinity 1.003474 Infinity
10635
156 pt -4.59380 -4.52708 -11.93323 Infinity 1.128162 Infinity
10636
157 pt -4.11777 1.33635 -9.68471 -Infinity 1.661420 -Infinity
10637
158 pt -3.55472 2.67913 -10.88928 Infinity 1.544965 Infinity
10638
159 pt -4.23004 2.05872 -7.94211 Infinity 2.006937 Infinity
10639
160 pt 3.59836 0.72643 -11.24342 -Infinity 1.402080 -Infinity
10640
161 pt 5.14809 1.53397 -11.96263 Infinity 1.280171 Infinity
10641
162 pt 2.27552 2.04489 -10.95564 Infinity 1.530629 Infinity
10642
163 pt -2.21719 4.79678 -13.03884 -Infinity 1.312988 -Infinity
10643
164 pt -3.42342 6.18761 -13.46507 Infinity 1.228787 Infinity
10644
165 pt -0.66164 5.52897 -12.25448 Infinity 1.404789 Infinity
10645
166 pt 3.82597 -3.32825 -15.07553 -Infinity 0.982777 -Infinity
10646
167 pt 2.42126 -2.87036 -16.25374 Infinity 0.951247 Infinity
10647
168 pt 3.92598 -2.05099 -13.68641 Infinity 1.096848 Infinity
10648
169 pt -0.09192 1.19599 -16.39151 -Infinity 1.028460 -Infinity
10649
170 pt 1.54222 1.93467 -16.98734 Infinity 0.989078 Infinity
10650
171 pt -0.97583 2.43805 -15.27480 Infinity 1.118848 Infinity
10651
172 pt -1.95644 -2.89936 -11.69131 -Infinity 1.271365 -Infinity
10652
173 pt -0.31645 -3.32069 -10.85227 Infinity 1.327275 Infinity
10653
174 pt -2.61631 -1.26773 -11.00326 Infinity 1.415401 Infinity
10654
175 pt 2.61901 -3.73649 -8.93674 -Infinity 1.415071 -Infinity
10655
176 pt 3.02705 -2.04167 -9.66623 Infinity 1.458095 Infinity
10656
177 pt 4.17403 -4.81022 -8.92709 Infinity 1.277134 Infinity
10657
178 pt -3.13456 -2.75177 -17.46250 -Infinity 0.898651 -Infinity
10658
179 pt -2.18431 -1.14367 -17.17595 Infinity 0.946288 Infinity
10659
180 pt -3.14015 -3.77321 -15.87262 Infinity 0.953726 Infinity
10660
181 pt -2.37333 5.77744 -19.79276 -Infinity 0.843798 -Infinity
10661
182 pt -0.86922 6.26143 -18.75619 Infinity 0.893232 Infinity
10662
183 pt -3.65336 7.16638 -19.73414 Infinity 0.830017 Infinity
10663
184 pt 17.61825 2.77546 -20.84225 -Infinity 0.595781 -Infinity
10664
185 pt 17.37526 1.75655 -19.26940 Infinity 0.624922 Infinity
10665
186 pt 18.63192 1.78020 -22.08845 Infinity 0.561254 Infinity
10666
187 pt 8.87644 -4.30941 -16.48299 -Infinity 0.809712 -Infinity
10667
188 pt 9.17518 -6.03987 -17.18107 Infinity 0.755300 Infinity
10668
189 pt 7.02396 -4.04754 -16.21690 Infinity 0.859056 Infinity
10669
190 pt 18.69806 -5.45639 -12.56867 -Infinity 0.661411 -Infinity
10670
191 pt 18.43452 -5.72206 -14.42098 Infinity 0.639404 Infinity
10671
192 pt 17.29827 -6.28511 -11.60697 Infinity 0.696266 Infinity
10672
193 pt 6.85501 -6.63346 -9.49674 -Infinity 1.048833 -Infinity
10673
194 pt 8.36015 -5.61879 -10.02216 Infinity 1.019352 Infinity
10674
195 pt 6.14764 -7.53679 -10.99830 Infinity 0.974322 Infinity
10675
196 pt 7.28605 3.21662 -13.81090 -Infinity 1.068966 -Infinity
10676
197 pt 7.94022 4.98916 -13.77610 Infinity 1.043533 Infinity
10677
198 pt 6.28507 2.94439 -15.39046 Infinity 1.006492 Infinity
10678
199 pt 18.09294 -0.64839 -10.51918 -Infinity 0.750697 -Infinity
10679
200 pt 16.96805 0.45213 -11.56539 Infinity 0.774980 Infinity
10680
201 pt 18.10766 -2.39724 -11.23497 Infinity 0.724859 Infinity
10681
202 pt 16.49239 -0.69585 -17.13456 -Infinity 0.671961 -Infinity
10682
203 pt 14.82798 -0.98989 -17.97974 Infinity 0.686142 Infinity
10683
204 pt 17.49220 -2.29942 -17.13487 Infinity 0.643309 Infinity
10684
205 pt 18.34760 3.21853 -7.00220 -Infinity 0.809607 -Infinity
10685
206 pt 18.15796 1.76322 -8.19265 Infinity 0.797338 Infinity
10686
207 pt 17.55070 4.75767 -7.75526 Infinity 0.830098 Infinity
10687
208 pt 14.37972 -6.41971 -20.43670 -Infinity 0.604918 -Infinity
10688
209 pt 13.11039 -7.60421 -19.69049 Infinity 0.622628 Infinity
10689
210 pt 13.63113 -4.68901 -20.56067 Infinity 0.627201 Infinity
10690
211 pt 18.69240 -5.53019 -17.80981 -Infinity 0.590374 -Infinity
10691
212 pt 19.60329 -7.17958 -17.66542 Infinity 0.566194 Infinity
10692
213 pt 17.14993 -5.75271 -18.87862 Infinity 0.596798 Infinity
10693
214 pt 15.32870 2.62860 -13.27353 -Infinity 0.798881 -Infinity
10694
215 pt 15.60765 4.48032 -13.52732 Infinity 0.784706 Infinity
10695
216 pt 15.75372 1.70255 -14.86502 Infinity 0.746701 Infinity
10696
217 pt 12.13372 -1.76041 -19.54098 -Infinity 0.693979 -Infinity
10697
218 pt 11.31593 -0.49590 -20.68259 Infinity 0.686682 Infinity
10698
219 pt 10.83334 -2.50460 -18.38934 Infinity 0.739750 Infinity
10699
220 pt 10.79348 -4.03850 -11.69169 -Infinity 0.922131 -Infinity
10700
221 pt 10.24393 -4.17549 -13.49455 Infinity 0.877232 Infinity
10701
222 pt 10.91581 -2.21634 -11.20609 Infinity 0.975870 Infinity
10702
223 pt 10.94453 1.05124 -10.90196 -Infinity 1.043394 -Infinity
10703
224 pt 12.62007 1.70128 -11.48599 Infinity 0.947697 Infinity
10704
225 pt 9.57065 1.81774 -11.94885 Infinity 1.069248 Infinity
10705
226 pt -20.51213 13.56484 -11.32195 -Infinity 0.651631 -Infinity
10706
227 pt -21.63188 15.03296 -10.91964 Infinity 0.617096 Infinity
10707
228 pt -21.18442 12.65470 -12.83547 Infinity 0.629478 Infinity
10708
229 pt -10.46525 8.63278 -8.09919 -Infinity 1.215494 -Infinity
10709
230 pt -11.63956 7.17420 -7.84504 Infinity 1.188166 Infinity
10710
231 pt -11.46416 10.18184 -8.51590 Infinity 1.082984 Infinity
10711
232 pt -8.15587 14.57238 -12.86742 -Infinity 0.896658 -Infinity
10712
233 pt -9.14653 13.06957 -13.44295 Infinity 0.897862 Infinity
10713
234 pt -7.96232 14.51857 -10.98840 Infinity 0.967291 Infinity
10714
235 pt -17.59379 8.01629 -18.38067 -Infinity 0.648032 -Infinity
10715
236 pt -17.41509 6.38181 -19.31211 Infinity 0.640080 Infinity
10716
237 pt -18.07828 7.67070 -16.58710 Infinity 0.673509 Infinity
10717
238 pt -10.47257 10.04329 -14.53195 -Infinity 0.891899 -Infinity
10718
239 pt -11.28526 8.48431 -13.83900 Infinity 0.919884 Infinity
10719
240 pt -11.58697 10.79990 -15.85736 Infinity 0.807182 Infinity
10720
241 pt -15.75700 15.93880 -12.14328 -Infinity 0.710743 -Infinity
10721
242 pt -17.40105 15.04925 -11.86603 Infinity 0.693664 Infinity
10722
243 pt -15.74133 17.55525 -11.16455 Infinity 0.696160 Infinity
10723
244 pt -7.46752 19.13546 -14.92644 -Infinity 0.728697 -Infinity
10724
245 pt -7.66246 17.40029 -14.20375 Infinity 0.785899 Infinity
10725
246 pt -8.55466 20.34538 -13.96453 Infinity 0.707291 Infinity
10726
247 pt -10.53625 7.73404 -20.48593 -Infinity 0.719575 -Infinity
10727
248 pt -10.80887 6.05831 -19.65605 Infinity 0.748246 Infinity
10728
249 pt -11.67100 9.02175 -19.69523 Infinity 0.715161 Infinity
10729
250 pt -14.36927 17.86717 -17.06409 -Infinity 0.627033 -Infinity
10730
251 pt -14.75108 17.00463 -15.42661 Infinity 0.659704 Infinity
10731
252 pt -14.51661 19.73791 -16.84117 Infinity 0.602565 Infinity
10732
253 pt -12.66500 13.32470 -8.67149 -Infinity 0.924009 -Infinity
10733
254 pt -13.65323 14.07266 -10.09803 Infinity 0.839135 Infinity
10734
255 pt -13.49630 13.76045 -7.03133 Infinity 0.913062 Infinity
10735
256 pt -13.67827 11.26792 -18.59649 -Infinity 0.689278 -Infinity
10736
257 pt -14.24624 12.83372 -19.48910 Infinity 0.646409 Infinity
10737
258 pt -15.15898 10.12670 -18.32047 Infinity 0.679830 Infinity
10738
259 pt -9.55339 17.21483 -19.29744 -Infinity 0.653482 -Infinity
10739
260 pt -11.34684 17.11207 -18.71090 Infinity 0.647203 Infinity
10740
261 pt -8.50757 18.07798 -17.98127 Infinity 0.676267 Infinity
10741
262 pt -16.11529 15.20521 -21.27371 -Infinity 0.570806 -Infinity
10742
263 pt -15.75164 16.40768 -19.86201 Infinity 0.584668 Infinity
10743
264 pt -16.14015 16.14542 -22.91275 Infinity 0.539932 Infinity
10744
265 pt -15.56829 20.36333 -9.39387 -Infinity 0.666157 -Infinity
10745
266 pt -16.07069 22.00868 -10.17584 Infinity 0.621040 Infinity
10746
267 pt -16.21938 20.28211 -7.62171 Infinity 0.671468 Infinity
10747
268 pt -5.83198 9.47565 -18.95146 -Infinity 0.817559 -Infinity
10748
269 pt -7.58202 8.93919 -19.42118 Infinity 0.784921 Infinity
10749
270 pt -5.66628 9.50966 -17.06932 Infinity 0.897336 Infinity
10750
271 pt 3.38442 18.20482 -19.47594 -Infinity 0.671809 -Infinity
10751
272 pt 1.56553 18.01042 -19.95017 Infinity 0.671029 Infinity
10752
273 pt 4.34352 16.66656 -20.00975 Infinity 0.680396 Infinity
10753
274 pt -5.40750 14.21745 -21.14232 -Infinity 0.688570 -Infinity
10754
275 pt -5.41256 12.47926 -20.40088 Infinity 0.732643 Infinity
10755
276 pt -6.94637 15.15245 -20.56896 Infinity 0.678956 Infinity
10756
277 pt 1.81479 7.96251 -17.37458 -Infinity 0.938079 -Infinity
10757
278 pt 1.91184 9.15839 -15.91461 Infinity 0.996962 Infinity
10758
279 pt 2.11320 8.90641 -18.98426 Infinity 0.847344 Infinity
10759
280 pt -2.39332 19.06226 -15.80485 -Infinity 0.745980 -Infinity
10760
281 pt -4.25568 19.13871 -15.49363 Infinity 0.742879 Infinity
10761
282 pt -2.07355 18.64941 -17.62098 Infinity 0.713320 Infinity
10762
283 pt -1.68238 19.08772 -8.26701 -Infinity 0.933905 -Infinity
10763
284 pt -3.51000 19.43636 -7.93635 Infinity 0.912271 Infinity
10764
285 pt -0.81896 18.65374 -6.64306 Infinity 0.995696 Infinity
10765
286 pt 0.52002 16.42955 -12.34775 -Infinity 0.934809 -Infinity
10766
287 pt -0.15323 16.97692 -10.66900 Infinity 0.971193 Infinity
10767
288 pt -0.61746 17.05879 -13.71934 Infinity 0.865960 Infinity
10768
289 pt 1.98065 6.69708 -10.83121 -Infinity 1.515949 -Infinity
10769
290 pt 2.12083 8.35916 -11.71942 Infinity 1.337347 Infinity
10770
291 pt 3.13420 6.68228 -9.33449 Infinity 1.678358 Infinity
10771
292 pt -3.42667 11.77689 -8.96841 -Infinity 1.359551 -Infinity
10772
293 pt -1.84664 12.20825 -8.02580 Infinity 1.431722 Infinity
10773
294 pt -4.79608 12.98906 -8.49259 Infinity 1.255445 Infinity
10774
295 pt -1.69237 17.86562 -20.75920 -Infinity 0.657141 -Infinity
10775
296 pt -2.77243 16.31592 -20.70484 Infinity 0.680602 Infinity
10776
297 pt -2.14215 18.89517 -22.27867 Infinity 0.610601 Infinity
10777
298 pt 2.49165 11.35976 -13.31677 -Infinity 1.080671 -Infinity
10778
299 pt 4.29092 11.88128 -13.56521 Infinity 1.017053 Infinity
10779
300 pt 1.45565 12.86986 -12.85059 Infinity 1.058166 Infinity
10780
301 pt 4.15252 19.68006 -14.52758 -Infinity 0.745116 -Infinity
10781
302 pt 4.10421 19.22717 -16.36160 Infinity 0.716190 Infinity
10782
303 pt 3.17467 18.40251 -13.53624 Infinity 0.812420 Infinity
10783
304 pt -5.34370 9.06368 -13.58434 -Infinity 1.103218 -Infinity
10784
305 pt -4.56431 10.12326 -12.22754 Infinity 1.179262 Infinity
10785
306 pt -7.21176 9.34764 -13.61181 Infinity 1.042525 Infinity
10786
307 pt 5.51927 12.74782 -7.79955 -Infinity 1.249143 -Infinity
10787
308 pt 6.84925 11.60319 -8.50102 Infinity 1.220025 Infinity
10788
309 pt 6.04120 14.54719 -8.04638 Infinity 1.103458 Infinity
10789
310 pt 7.55436 17.69531 -8.34983 -Infinity 0.900718 -Infinity
10790
311 pt 8.93140 16.86303 -7.35882 Infinity 0.918988 Infinity
10791
312 pt 8.25726 18.35602 -9.97478 Infinity 0.828688 Infinity
10792
313 pt 12.51249 8.26332 -17.98031 -Infinity 0.732378 -Infinity
10793
314 pt 12.76226 7.06121 -19.41684 Infinity 0.698270 Infinity
10794
315 pt 12.89613 10.02207 -18.55536 Infinity 0.697287 Infinity
10795
316 pt 15.15884 14.50936 -15.18404 -Infinity 0.674504 -Infinity
10796
317 pt 14.53029 13.69582 -16.76964 Infinity 0.667927 Infinity
10797
318 pt 16.96787 15.00880 -15.40544 Infinity 0.632416 Infinity
10798
319 pt 11.69219 13.42591 -11.37753 -Infinity 0.854877 -Infinity
10799
320 pt 13.10795 13.80736 -12.56965 Infinity 0.780175 Infinity
10800
321 pt 12.02058 14.26792 -9.71794 Infinity 0.862695 Infinity
10801
322 pt 19.34259 17.78521 -10.15276 -Infinity 0.615284 -Infinity
10802
323 pt 20.00734 18.81381 -11.59192 Infinity 0.579760 Infinity
10803
324 pt 17.61212 18.38885 -9.69216 Infinity 0.642680 Infinity
10804
325 pt 14.81928 20.47548 -9.64201 -Infinity 0.657762 -Infinity
10805
326 pt 12.98040 20.09696 -9.42681 Infinity 0.699972 Infinity
10806
327 pt 15.06826 21.53924 -11.18392 Infinity 0.620280 Infinity
10807
328 pt 14.98960 21.15041 -20.51340 -Infinity 0.525909 -Infinity
10808
329 pt 16.21386 22.53867 -20.89417 Infinity 0.498392 Infinity
10809
330 pt 13.51704 21.26688 -21.69199 Infinity 0.523656 Infinity
10810
331 pt 13.89714 12.83429 -19.90002 -Infinity 0.628992 -Infinity
10811
332 pt 15.54440 12.73368 -20.82060 Infinity 0.591791 Infinity
10812
333 pt 12.66681 13.84586 -20.91691 Infinity 0.617105 Infinity
10813
334 pt 19.90037 11.17117 -7.02000 -Infinity 0.710089 -Infinity
10814
335 pt 21.11673 11.41620 -8.44530 Infinity 0.663351 Infinity
10815
336 pt 19.66650 12.80626 -6.10194 Infinity 0.704782 Infinity
10816
337 pt 15.86269 7.87110 -13.98275 -Infinity 0.752167 -Infinity
10817
338 pt 14.54444 7.97837 -15.33248 Infinity 0.755212 Infinity
10818
339 pt 17.31748 8.99070 -14.43126 Infinity 0.698464 Infinity
10819
340 pt 16.39515 7.65079 -8.74054 -Infinity 0.843485 -Infinity
10820
341 pt 16.02361 7.79589 -10.58769 Infinity 0.820193 Infinity
10821
342 pt 17.57347 9.03468 -8.22335 Infinity 0.793769 Infinity
10822
343 pt 7.35602 12.96712 -14.14005 -Infinity 0.894700 -Infinity
10823
344 pt 7.55479 14.02921 -15.69038 Infinity 0.813275 Infinity
10824
345 pt 8.83938 13.23166 -12.99957 Infinity 0.892283 Infinity
10825
346 pt 9.16167 19.75382 -12.73453 -Infinity 0.723117 -Infinity
10826
347 pt 10.48554 19.52288 -14.06310 Infinity 0.687087 Infinity
10827
348 pt 7.45229 19.75250 -13.54020 Infinity 0.731006 Infinity
10828
349 pt 19.08923 7.72276 -19.74195 -Infinity 0.584281 -Infinity
10829
350 pt 19.73365 8.29805 -21.42267 Infinity 0.549989 Infinity
10830
351 pt 18.67399 5.88097 -19.82218 Infinity 0.594118 Infinity
10831
352 pt 19.79476 20.54213 -14.54931 -Infinity 0.539442 -Infinity
10832
353 pt 20.98725 21.54737 -15.61632 Infinity 0.507327 Infinity
10833
354 pt 18.17457 21.49339 -14.34640 Infinity 0.550655 Infinity
10834
355 pt 8.64408 15.94060 -18.12350 -Infinity 0.697322 -Infinity
10835
356 pt 9.97512 17.12261 -17.48928 Infinity 0.675065 Infinity
10836
357 pt 8.94243 15.57806 -19.95397 Infinity 0.659187 Infinity
10837
358 pt 8.82613 8.03355 -14.40712 -Infinity 0.948680 -Infinity
10838
359 pt 8.04667 9.75462 -14.44486 Infinity 0.940248 Infinity
10839
360 pt 10.17945 7.92485 -15.72157 Infinity 0.858307 Infinity
10840
361 pt 9.29230 9.05855 -9.37460 -Infinity 1.150303 -Infinity
10841
362 pt 10.64746 10.37483 -9.41947 Infinity 1.035898 Infinity
10842
363 pt 9.11065 8.28136 -11.08751 Infinity 1.093953 Infinity
10843
364 pt 12.59669 18.81052 -16.48611 -Infinity 0.632513 -Infinity
10844
365 pt 13.51646 19.77205 -17.82796 Infinity 0.588867 Infinity
10845
366 pt 13.68251 17.39202 -15.86974 Infinity 0.647997 Infinity
10846
367 pt 19.85642 15.93879 -16.90106 -Infinity 0.559867 -Infinity
10847
368 pt 19.89665 16.39185 -18.73523 Infinity 0.535919 Infinity
10848
369 pt 20.11655 17.49491 -15.86092 Infinity 0.553311 Infinity
10849
370 pt 20.01766 10.81344 -15.74681 -Infinity 0.609928 -Infinity
10850
371 pt 19.77103 9.70771 -17.25930 Infinity 0.600330 Infinity
10851
372 pt 20.13911 12.61722 -16.29697 Infinity 0.588660 Infinity
10852
373 pt -10.99975 -18.26670 -1.58814 -Infinity 0.660345 -Infinity
10853
374 pt -12.19115 -16.96504 -0.91189 Infinity 0.677610 Infinity
10854
375 pt -9.67840 -17.42449 -2.64445 Infinity 0.696652 Infinity
10855
376 pt -17.07083 -16.08788 3.90702 -Infinity 0.611919 -Infinity
10856
377 pt -15.88624 -15.62046 2.51083 Infinity 0.644742 Infinity
10857
378 pt -17.82565 -14.52063 4.64527 Infinity 0.623926 Infinity
10858
379 pt -7.64994 -15.34517 -4.31904 -Infinity 0.780896 -Infinity
10859
380 pt -5.84107 -15.10074 -3.82987 Infinity 0.814764 Infinity
10860
381 pt -8.56352 -13.69504 -4.20271 Infinity 0.828821 Infinity
10861
382 pt -18.71629 -16.46951 -4.51883 -Infinity 0.586989 -Infinity
10862
383 pt -19.33046 -15.17993 -3.28156 Infinity 0.601178 Infinity
10863
384 pt -19.81721 -16.44497 -6.05455 Infinity 0.567054 Infinity
10864
385 pt -9.86958 -10.73163 -3.77467 -Infinity 0.926345 -Infinity
10865
386 pt -8.61631 -10.35951 -2.41015 Infinity 0.991081 Infinity
10866
387 pt -11.58603 -10.16106 -3.22757 Infinity 0.902776 Infinity
10867
388 pt -10.02702 -11.78005 3.35272 -Infinity 0.861731 -Infinity
10868
389 pt -8.56520 -11.65389 2.16183 Infinity 0.913996 Infinity
10869
390 pt -10.23784 -10.14071 4.26880 Infinity 0.909061 Infinity
10870
391 pt -13.61008 -14.11734 0.31863 -Infinity 0.726627 -Infinity
10871
392 pt -12.36112 -13.30664 1.48222 Infinity 0.771228 Infinity
10872
393 pt -14.28236 -12.82486 -0.88495 Infinity 0.748788 Infinity
10873
394 pt -18.89254 -11.57911 5.90750 -Infinity 0.646015 -Infinity
10874
395 pt -17.49422 -10.44899 6.48940 Infinity 0.688810 Infinity
10875
396 pt -19.96403 -10.66110 4.65044 Infinity 0.647469 Infinity
10876
397 pt -17.70216 -20.26343 6.80330 -Infinity 0.526223 -Infinity
10877
398 pt -18.03035 -19.64993 8.56028 Infinity 0.522504 Infinity
10878
399 pt -17.52634 -18.78390 5.64091 Infinity 0.554389 Infinity
10879
400 pt -16.47244 -7.48576 1.83753 -Infinity 0.818351 -Infinity
10880
401 pt -15.80439 -7.69944 3.59227 Infinity 0.821134 Infinity
10881
402 pt -18.32419 -7.86214 1.81719 Infinity 0.751751 Infinity
10882
403 pt -10.83507 -16.28220 6.09082 -Infinity 0.681184 -Infinity
10883
404 pt -10.06551 -17.55494 4.92507 Infinity 0.668067 Infinity
10884
405 pt -10.60371 -14.54903 5.37411 Infinity 0.737117 Infinity
10885
406 pt -14.75563 -9.61330 -2.50363 -Infinity 0.824926 -Infinity
10886
407 pt -15.44173 -8.47209 -3.84452 Infinity 0.828639 Infinity
10887
408 pt -15.26895 -8.96858 -0.80307 Infinity 0.829279 Infinity
10888
409 pt -15.26511 -7.85027 6.85549 -Infinity 0.791694 -Infinity
10889
410 pt -13.44176 -7.38505 6.68226 Infinity 0.861312 Infinity
10890
411 pt -16.24581 -6.34821 7.44972 Infinity 0.784624 Infinity
10891
412 pt -9.15438 -20.04402 2.90454 -Infinity 0.628143 -Infinity
10892
413 pt -9.72706 -21.82639 3.16200 Infinity 0.584768 Infinity
10893
414 pt -9.67213 -19.45718 1.18448 Infinity 0.642719 Infinity
10894
415 pt 4.74260 -10.87171 2.62635 -Infinity 1.005548 -Infinity
10895
416 pt 5.45488 -12.53617 3.16793 Infinity 0.899347 Infinity
10896
417 pt 5.78505 -9.47290 3.35277 Infinity 1.049038 Infinity
10897
418 pt 1.39282 -12.03772 -5.60169 -Infinity 0.972256 -Infinity
10898
419 pt 1.90544 -13.30982 -6.90171 Infinity 0.883373 Infinity
10899
420 pt 2.79706 -11.80478 -4.35875 Infinity 0.989443 Infinity
10900
421 pt -5.13490 -20.95879 6.01158 -Infinity 0.615819 -Infinity
10901
422 pt -4.30841 -22.59381 5.54823 Infinity 0.586191 Infinity
10902
423 pt -6.38208 -20.48111 4.67464 Infinity 0.628829 Infinity
10903
424 pt 0.80653 -14.65011 6.66278 -Infinity 0.803824 -Infinity
10904
425 pt 1.28655 -15.88757 5.31767 Infinity 0.775593 Infinity
10905
426 pt 0.34539 -12.99966 5.86627 Infinity 0.886340 Infinity
10906
427 pt 2.05846 -18.14120 3.17919 -Infinity 0.715989 -Infinity
10907
428 pt 2.05716 -19.83688 4.01329 Infinity 0.662219 Infinity
10908
429 pt 0.99258 -18.20418 1.62002 Infinity 0.725204 Infinity
10909
430 pt 5.51209 -11.81956 -2.46075 -Infinity 0.958230 -Infinity
10910
431 pt 5.14304 -11.37459 -0.66162 Infinity 0.994022 Infinity
10911
432 pt 6.27713 -13.54570 -2.53962 Infinity 0.861233 Infinity
10912
433 pt 3.41915 -19.86918 -3.86376 -Infinity 0.666337 -Infinity
10913
434 pt 3.58604 -20.32871 -5.68915 Infinity 0.646081 Infinity
10914
435 pt 3.85303 -21.36548 -2.79423 Infinity 0.628603 Infinity
10915
436 pt 6.55191 -15.50130 3.81204 -Infinity 0.761631 -Infinity
10916
437 pt 7.58635 -16.40606 5.10912 Infinity 0.710720 Infinity
10917
438 pt 5.02949 -16.53620 3.38508 Infinity 0.747164 Infinity
10918
439 pt -0.79121 -18.45813 -1.21443 -Infinity 0.724175 -Infinity
10919
440 pt 0.69393 -18.89521 -2.29813 Infinity 0.707875 Infinity
10920
441 pt -2.03094 -19.88416 -1.23802 Infinity 0.679125 Infinity
10921
442 pt -2.83510 -13.97798 -2.79863 -Infinity 0.897051 -Infinity
10922
443 pt -1.49241 -13.11311 -3.80870 Infinity 0.941180 Infinity
10923
444 pt -2.12832 -15.55072 -2.02533 Infinity 0.830329 Infinity
10924
445 pt -0.17210 -10.23512 4.23724 -Infinity 1.076314 -Infinity
10925
446 pt 1.57482 -10.29569 3.51913 Infinity 1.077945 Infinity
10926
447 pt -1.26924 -9.15871 3.13782 Infinity 1.186126 Infinity
10927
448 pt -6.12880 -10.84941 -0.06947 -Infinity 1.031733 -Infinity
10928
449 pt -4.94121 -12.04284 -0.92762 Infinity 0.984518 Infinity
10929
450 pt -5.18631 -9.30529 0.47685 Infinity 1.160507 Infinity
10930
451 pt 7.76589 -7.18951 4.61041 -Infinity 1.079919 -Infinity
10931
452 pt 9.38297 -7.68424 3.76698 Infinity 1.009878 Infinity
10932
453 pt 8.12034 -6.64738 6.38566 Infinity 1.038774 Infinity
10933
454 pt 17.83890 -21.01193 -0.73845 -Infinity 0.520125 -Infinity
10934
455 pt 16.80784 -21.52338 0.76034 Infinity 0.522373 Infinity
10935
456 pt 17.74482 -19.13748 -0.95905 Infinity 0.547549 Infinity
10936
457 pt 10.07091 -19.79995 0.44172 -Infinity 0.620404 -Infinity
10937
458 pt 8.83641 -20.63464 1.60378 Infinity 0.611331 Infinity
10938
459 pt 11.72871 -19.59363 1.32502 Infinity 0.606103 Infinity
10939
460 pt 17.98754 -20.08072 -6.03318 -Infinity 0.524281 -Infinity
10940
461 pt 16.66582 -20.87587 -7.12490 Infinity 0.523382 Infinity
10941
462 pt 17.82062 -20.72970 -4.26626 Infinity 0.521320 Infinity
10942
463 pt 16.77539 -16.03417 -1.64681 -Infinity 0.609989 -Infinity
10943
464 pt 16.47146 -16.29730 -3.49328 Infinity 0.607526 Infinity
10944
465 pt 15.31655 -15.09785 -0.89438 Infinity 0.651343 Infinity
10945
466 pt 21.35337 -8.75204 2.25166 -Infinity 0.630591 -Infinity
10946
467 pt 20.93489 -10.03363 0.92747 Infinity 0.626517 Infinity
10947
468 pt 20.19564 -7.26817 2.08182 Infinity 0.676917 Infinity
10948
469 pt 20.71891 -12.57719 -1.40578 -Infinity 0.598205 -Infinity
10949
470 pt 19.86510 -11.24473 -2.43855 Infinity 0.632392 Infinity
10950
471 pt 19.53435 -14.02547 -1.14055 Infinity 0.598131 Infinity
10951
472 pt 8.75085 -8.62870 -5.08563 -Infinity 1.003219 -Infinity
10952
473 pt 7.48727 -9.63927 -4.10931 Infinity 1.008994 Infinity
10953
474 pt 7.93409 -7.92860 -6.63928 Infinity 1.036861 Infinity
10954
475 pt 13.08368 -11.32581 -4.44236 -Infinity 0.778871 -Infinity
10955
476 pt 11.55387 -10.28216 -4.81859 Infinity 0.848828 Infinity
10956
477 pt 12.89101 -12.13983 -2.74787 Infinity 0.768688 Infinity
10957
478 pt 12.69856 -8.82518 2.88449 -Infinity 0.858949 -Infinity
10958
479 pt 13.18546 -8.66094 4.70301 Infinity 0.827778 Infinity
10959
480 pt 13.06551 -7.20470 1.98423 Infinity 0.904983 Infinity
10960
481 pt 7.36721 -16.67960 -2.84940 -Infinity 0.730623 -Infinity
10961
482 pt 5.80780 -17.68137 -3.21786 Infinity 0.715304 Infinity
10962
483 pt 8.43285 -17.60925 -1.59592 Infinity 0.692866 Infinity
10963
484 pt 17.75984 -9.22629 -3.76181 -Infinity 0.709841 -Infinity
10964
485 pt 16.06502 -10.02630 -4.00392 Infinity 0.736650 Infinity
10965
486 pt 17.67784 -7.40819 -4.27059 Infinity 0.742458 Infinity
10966
487 pt 10.41891 -17.56460 -7.19965 -Infinity 0.648684 -Infinity
10967
488 pt 11.16532 -19.14736 -6.48633 Infinity 0.610617 Infinity
10968
489 pt 9.21862 -16.81334 -5.94826 Infinity 0.689512 Infinity
10969
490 pt 14.38784 -19.25402 3.15846 -Infinity 0.578259 -Infinity
10970
491 pt 15.53903 -17.75700 3.08967 Infinity 0.590412 Infinity
10971
492 pt 14.13489 -19.77328 4.95775 Infinity 0.565496 Infinity
10972
493 pt 12.70392 -13.36255 0.30638 -Infinity 0.740108 -Infinity
10973
494 pt 11.22987 -14.37820 0.91195 Infinity 0.739497 Infinity
10974
495 pt 12.80412 -11.74981 1.28621 Infinity 0.779449 Infinity
10975
496 pt -21.21177 -2.74350 -5.23846 -Infinity 0.728818 -Infinity
10976
497 pt -20.62476 -1.83659 -6.78894 Infinity 0.743692 Infinity
10977
498 pt -22.97511 -3.36932 -5.50312 Infinity 0.671019 Infinity
10978
499 pt -9.82236 2.07308 -3.93727 -Infinity 1.648036 -Infinity
10979
500 pt -11.01964 2.75673 -5.22964 Infinity 1.426743 Infinity
10980
501 pt -8.05347 2.54887 -4.40174 Infinity 1.960358 Infinity
10981
502 pt -7.84169 2.66255 6.20741 -Infinity 1.551336 -Infinity
10982
503 pt -6.93555 2.18118 4.62051 Infinity 1.858429 Infinity
10983
504 pt -9.69654 2.77740 5.86478 Infinity 1.396062 Infinity
10984
505 pt -15.02454 -3.39124 -0.90347 -Infinity 1.000962 -Infinity
10985
506 pt -15.72490 -4.71163 0.25288 Infinity 0.926447 Infinity
10986
507 pt -15.44508 -3.83182 -2.69235 Infinity 0.961516 Infinity
10987
508 pt -15.66200 5.16397 -2.15396 -Infinity 1.054345 -Infinity
10988
509 pt -17.37758 4.68695 -2.78666 Infinity 0.946986 Infinity
10989
510 pt -14.89415 3.69603 -1.24478 Infinity 1.121072 Infinity
10990
511 pt -13.07784 1.29955 0.05323 -Infinity 1.261634 -Infinity
10991
512 pt -11.72325 1.54476 -1.24139 Infinity 1.423172 Infinity
10992
513 pt -13.91131 -0.37508 -0.21506 Infinity 1.154107 Infinity
10993
514 pt -13.04261 2.70865 5.09845 -Infinity 1.150934 -Infinity
10994
515 pt -13.00607 2.23876 3.26844 Infinity 1.213904 Infinity
10995
516 pt -14.21244 1.54885 6.02443 Infinity 1.034022 Infinity
10996
517 pt -20.06184 3.36760 -3.83540 -Infinity 0.813998 -Infinity
10997
518 pt -21.27056 3.45178 -5.28557 Infinity 0.758321 Infinity
10998
519 pt -20.58933 1.99069 -2.65347 Infinity 0.795672 Infinity
10999
520 pt -10.48386 -4.41563 1.33638 -Infinity 1.241250 -Infinity
11000
521 pt -12.10646 -4.03136 0.44723 Infinity 1.156841 Infinity
11001
522 pt -9.03437 -3.76461 0.31353 Infinity 1.427846 Infinity
11002
523 pt -13.47419 4.66648 -6.82693 -Infinity 1.131307 -Infinity
11003
524 pt -14.38482 4.95985 -5.19728 Infinity 1.107305 Infinity
11004
525 pt -14.72486 4.26206 -8.18463 Infinity 1.010512 Infinity
11005
526 pt -16.69777 -5.62427 -5.35646 -Infinity 0.841307 -Infinity
11006
527 pt -18.39318 -4.79021 -5.38775 Infinity 0.795216 Infinity
11007
528 pt -15.56952 -4.80832 -6.63409 Infinity 0.887653 Infinity
11008
529 pt -10.19211 -6.99025 5.65679 -Infinity 1.014411 -Infinity
11009
530 pt -10.38533 -6.03809 4.03594 Infinity 1.094472 Infinity
11010
531 pt -8.51457 -6.58843 6.42847 Infinity 1.073117 Infinity
11011
532 pt 5.52738 2.65015 -4.06070 -Infinity 2.354940 -Infinity
11012
533 pt 6.35149 3.17831 -2.44424 Infinity 2.303688 Infinity
11013
534 pt 5.39328 4.13920 -5.21647 Infinity 2.230407 Infinity
11014
535 pt -1.60004 -3.19208 4.38459 -Infinity 1.816027 -Infinity
11015
536 pt -1.72749 -1.30798 4.45503 Infinity 2.126660 Infinity
11016
537 pt 0.21917 -3.69947 4.32065 Infinity 1.743736 Infinity
11017
538 pt -4.89822 3.24662 -4.94573 -Infinity 2.767220 -Infinity
11018
539 pt -5.04778 5.07082 -5.41584 Infinity 2.483673 Infinity
11019
540 pt -3.65241 3.05810 -3.53738 Infinity 4.120075 Infinity
11020
541 pt 0.58719 1.91585 5.69948 -Infinity 2.237435 -Infinity
11021
542 pt 0.32004 3.74588 6.08767 Infinity 2.194087 Infinity
11022
543 pt 2.28279 1.68170 4.89874 Infinity 2.306948 Infinity
11023
544 pt -3.04632 -6.84229 1.07757 -Infinity 1.460583 -Infinity
11024
545 pt -2.80683 -6.13152 -0.65694 Infinity 1.599095 Infinity
11025
546 pt -2.69077 -5.50329 2.36277 Infinity 1.604900 Infinity
11026
547 pt -7.05562 -2.18746 -1.77842 -Infinity 1.862783 -Infinity
11027
548 pt -7.91473 -1.08974 -3.05435 Infinity 1.817130 Infinity
11028
549 pt -5.46275 -2.88590 -2.51735 Infinity 1.961277 Infinity
11029
550 pt -2.43542 -4.22654 -3.42351 -Infinity 1.903357 -Infinity
11030
551 pt -2.14858 -5.47052 -4.81681 Infinity 1.602980 Infinity
11031
552 pt -1.03085 -2.96242 -3.40724 Infinity 2.267531 Infinity
11032
553 pt -5.62531 6.77310 1.45771 -Infinity 2.445285 -Infinity
11033
554 pt -6.71577 7.49063 0.09128 Infinity 2.158339 Infinity
11034
555 pt -5.83185 4.89540 1.50911 Infinity 2.682874 Infinity
11035
556 pt -5.66799 1.48068 1.69978 -Infinity 2.661792 -Infinity
11036
557 pt -3.99851 1.86226 0.90085 Infinity 3.922584 Infinity
11037
558 pt -6.52045 0.08948 0.74638 Infinity 2.297593 Infinity
11038
559 pt 1.94012 -1.34688 -4.30055 -Infinity 2.431682 -Infinity
11039
560 pt 3.24965 -0.00523 -4.06358 Infinity 2.589204 Infinity
11040
561 pt 2.26651 -2.26853 -5.91768 Infinity 1.939773 Infinity
11041
562 pt 5.34753 1.04920 3.70821 -Infinity 2.000038 -Infinity
11042
563 pt 5.98942 2.14266 2.30700 Infinity 2.152943 Infinity
11043
564 pt 6.65092 0.94163 5.07227 Infinity 1.629364 Infinity
11044
565 pt 3.61038 -3.88120 4.41976 -Infinity 1.561185 -Infinity
11045
566 pt 4.99807 -5.15305 4.25309 Infinity 1.364857 Infinity
11046
567 pt 4.23666 -2.18744 3.86299 Infinity 1.765867 Infinity
11047
568 pt 16.55097 -4.56507 -5.66572 -Infinity 0.820236 -Infinity
11048
569 pt 16.10201 -5.29853 -7.34843 Infinity 0.803553 Infinity
11049
570 pt 14.97082 -4.12484 -4.72743 Infinity 0.902513 Infinity
11050
571 pt 12.32976 3.20160 -0.44967 -Infinity 1.248001 -Infinity
11051
572 pt 12.49382 2.07325 1.05731 Infinity 1.208341 Infinity
11052
573 pt 14.03885 3.51419 -1.19289 Infinity 1.102371 Infinity
11053
574 pt 12.85312 0.36470 3.80633 -Infinity 1.096569 -Infinity
11054
575 pt 11.46511 0.47491 5.08396 Infinity 1.157111 Infinity
11055
576 pt 14.32253 1.40544 4.37969 Infinity 1.003315 Infinity
11056
577 pt 16.39473 3.96916 5.44336 -Infinity 0.883932 -Infinity
11057
578 pt 15.99966 5.80754 5.25526 Infinity 0.899531 Infinity
11058
579 pt 16.08587 3.43704 7.23012 Infinity 0.862723 Infinity
11059
580 pt 21.27508 3.59125 3.64663 -Infinity 0.718164 -Infinity
11060
581 pt 19.48455 3.60090 4.25074 Infinity 0.773807 Infinity
11061
582 pt 21.52872 2.15275 2.44769 Infinity 0.715575 Infinity
11062
583 pt 17.24677 3.47794 -2.06959 -Infinity 0.900762 -Infinity
11063
584 pt 18.23165 2.11592 -1.20589 Infinity 0.851523 Infinity
11064
585 pt 17.41558 3.28797 -3.94215 Infinity 0.882089 Infinity
11065
586 pt 18.49156 -4.12957 2.42116 -Infinity 0.767820 -Infinity
11066
587 pt 16.73927 -4.20485 1.71769 Infinity 0.834587 Infinity
11067
588 pt 18.41253 -4.09156 4.30885 Infinity 0.756443 Infinity
11068
589 pt 7.53358 4.48702 0.40329 -Infinity 1.972280 -Infinity
11069
590 pt 7.59403 6.06608 1.43962 Infinity 1.836320 Infinity
11070
591 pt 9.29022 3.97395 -0.06794 Infinity 1.635731 Infinity
11071
592 pt 20.65248 -0.46880 -0.62064 -Infinity 0.742029 -Infinity
11072
593 pt 21.10069 -1.36664 -2.22191 Infinity 0.720157 Infinity
11073
594 pt 19.94427 -1.70628 0.61959 Infinity 0.754237 Infinity
11074
595 pt 13.52229 -4.06897 1.02423 -Infinity 0.989321 -Infinity
11075
596 pt 13.09221 -2.48996 1.96912 Infinity 1.049714 Infinity
11076
597 pt 12.74061 -4.00808 -0.69517 Infinity 1.043370 Infinity
11077
598 pt 9.09710 -0.64341 -6.27014 -Infinity 1.359444 -Infinity
11078
599 pt 7.84480 0.56108 -5.52716 Infinity 1.602286 Infinity
11079
600 pt 9.85209 0.11299 -7.82863 Infinity 1.241361 Infinity
11080
601 pt 11.56980 -4.32769 -3.74550 -Infinity 1.084069 -Infinity
11081
602 pt 10.70352 -2.87585 -4.58978 Infinity 1.186987 Infinity
11082
603 pt 10.59354 -5.91472 -4.06066 Infinity 1.066288 Infinity
11083
604 pt -14.37489 14.79254 2.86223 -Infinity 0.877002 -Infinity
11084
605 pt -15.47905 14.28177 1.41619 Infinity 0.862841 Infinity
11085
606 pt -15.30357 14.53326 4.48747 Infinity 0.832973 Infinity
11086
607 pt -12.43163 7.91278 5.06405 -Infinity 1.139214 -Infinity
11087
608 pt -12.77932 6.05653 5.13127 Infinity 1.150761 Infinity
11088
609 pt -13.04589 8.61058 3.41881 Infinity 1.127967 Infinity
11089
610 pt -20.46171 8.37994 1.57156 -Infinity 0.775874 -Infinity
11090
611 pt -21.62527 8.42576 0.08324 Infinity 0.739872 Infinity
11091
612 pt -20.40127 6.62563 2.27142 Infinity 0.787295 Infinity
11092
613 pt -10.86252 18.03316 4.58923 -Infinity 0.857166 -Infinity
11093
614 pt -11.65105 19.20654 5.84321 Infinity 0.784162 Infinity
11094
615 pt -12.20393 16.96663 3.79287 Infinity 0.868157 Infinity
11095
616 pt -7.62739 9.69345 5.20698 -Infinity 1.414687 -Infinity
11096
617 pt -9.43536 9.14435 5.23531 Infinity 1.305416 Infinity
11097
618 pt -6.70485 8.75721 3.84925 Infinity 1.687446 Infinity
11098
619 pt -7.64291 14.62148 6.82715 -Infinity 1.041514 -Infinity
11099
620 pt -8.81644 15.74990 5.86770 Infinity 0.981205 Infinity
11100
621 pt -7.64059 12.90157 6.04422 Infinity 1.163332 Infinity
11101
622 pt -20.78293 18.64521 -0.96947 -Infinity 0.634240 -Infinity
11102
623 pt -22.28420 19.79282 -0.95369 Infinity 0.590068 Infinity
11103
624 pt -20.09737 18.47898 0.78366 Infinity 0.649062 Infinity
11104
625 pt -18.03110 12.78640 -0.37097 -Infinity 0.809651 -Infinity
11105
626 pt -18.79750 11.19561 0.30214 Infinity 0.807911 Infinity
11106
627 pt -19.39696 14.04201 -0.73004 Infinity 0.742382 Infinity
11107
628 pt -19.67270 18.34853 4.18052 -Infinity 0.646957 -Infinity
11108
629 pt -19.07921 19.95700 4.97530 Infinity 0.628282 Infinity
11109
630 pt -18.93724 16.87666 5.10989 Infinity 0.680179 Infinity
11110
631 pt -7.81314 14.55526 -7.57305 -Infinity 1.087818 -Infinity
11111
632 pt -7.71577 15.21061 -5.80328 Infinity 1.104163 Infinity
11112
633 pt -9.55638 13.90903 -7.91155 Infinity 1.043038 Infinity
11113
634 pt -12.91453 19.83862 -2.99528 -Infinity 0.779138 -Infinity
11114
635 pt -14.66097 20.20466 -3.61739 Infinity 0.728316 Infinity
11115
636 pt -12.10809 21.44062 -2.40002 Infinity 0.749938 Infinity
11116
637 pt -8.87658 13.43907 0.41737 -Infinity 1.227558 -Infinity
11117
638 pt -10.53232 13.62314 1.30939 Infinity 1.111813 Infinity
11118
639 pt -8.81467 11.76606 -0.45914 Infinity 1.368869 Infinity
11119
640 pt -13.92407 9.28420 0.20927 -Infinity 1.097580 -Infinity
11120
641 pt -15.16853 10.67928 -0.06663 Infinity 0.983357 Infinity
11121
642 pt -14.55155 7.70596 -0.61929 Infinity 1.098330 Infinity
11122
643 pt -8.63770 8.92541 -2.02872 -Infinity 1.640194 -Infinity
11123
644 pt -10.49535 8.60681 -2.16546 Infinity 1.430341 Infinity
11124
645 pt -7.82589 8.65768 -3.71405 Infinity 1.724423 Infinity
11125
646 pt -8.36050 17.33965 -2.88362 -Infinity 1.002558 -Infinity
11126
647 pt -8.42219 15.95093 -1.60350 Infinity 1.087482 Infinity
11127
648 pt -10.04039 18.20164 -2.96087 Infinity 0.911080 Infinity
11128
649 pt -17.64135 21.10223 -4.49207 -Infinity 0.647166 -Infinity
11129
650 pt -17.92009 22.97116 -4.47104 Infinity 0.609242 Infinity
11130
651 pt -18.78687 20.27926 -3.23447 Infinity 0.644436 Infinity
11131
652 pt -14.54625 14.75835 -4.13208 -Infinity 0.880055 -Infinity
11132
653 pt -14.06084 16.47716 -3.51473 Infinity 0.848722 Infinity
11133
654 pt -15.86950 14.03040 -2.99622 Infinity 0.858078 Infinity
11134
655 pt -1.04546 8.94453 2.24419 -Infinity 2.483048 -Infinity
11135
656 pt -2.65249 8.05176 1.80659 Infinity 2.723749 Infinity
11136
657 pt -0.44631 8.36953 3.94168 Infinity 2.277452 Infinity
11137
658 pt 5.16511 13.32438 6.05084 -Infinity 1.201613 -Infinity
11138
659 pt 7.05453 13.29982 6.07484 Infinity 1.126563 Infinity
11139
660 pt 4.50192 12.01577 7.24197 Infinity 1.245026 Infinity
11140
661 pt 1.96912 11.73591 -0.97363 -Infinity 1.882806 -Infinity
11141
662 pt 1.09761 10.57935 0.24042 Infinity 2.188374 Infinity
11142
663 pt 3.83434 11.67275 -0.67693 Infinity 1.753871 Infinity
11143
664 pt 0.76234 12.80544 -5.83945 -Infinity 1.531628 -Infinity
11144
665 pt 1.04279 12.24137 -4.05781 Infinity 1.725472 Infinity
11145
666 pt 2.40938 12.81192 -6.76588 Infinity 1.429392 Infinity
11146
667 pt 0.15047 17.50831 -3.76902 -Infinity 1.126828 -Infinity
11147
668 pt 1.73841 17.89869 -2.82186 Infinity 1.097012 Infinity
11148
669 pt 0.21621 15.73009 -4.40516 Infinity 1.268207 Infinity
11149
670 pt -3.54349 13.76946 1.45809 -Infinity 1.456704 -Infinity
11150
671 pt -2.76162 12.05158 1.55090 Infinity 1.734615 Infinity
11151
672 pt -5.38995 13.60334 1.09195 Infinity 1.402765 Infinity
11152
673 pt 2.22952 15.85316 2.70724 -Infinity 1.218789 -Infinity
11153
674 pt 1.35276 14.64549 1.54798 Infinity 1.387872 Infinity
11154
675 pt 3.30636 14.88965 3.92508 Infinity 1.237514 Infinity
11155
676 pt 2.11678 20.02869 5.67851 -Infinity 0.890252 -Infinity
11156
677 pt 1.23604 19.78644 7.33280 Infinity 0.872152 Infinity
11157
678 pt 1.84616 18.50720 4.59089 Infinity 0.991343 Infinity
11158
679 pt -6.69648 19.79344 -7.29385 -Infinity 0.867695 -Infinity
11159
680 pt -6.97561 19.52573 -5.44413 Infinity 0.900822 Infinity
11160
681 pt -7.32297 18.28912 -8.25071 Infinity 0.902251 Infinity
11161
682 pt -3.80632 20.07666 -1.62090 -Infinity 0.949866 -Infinity
11162
683 pt -2.40322 18.98149 -2.25569 Infinity 1.027350 Infinity
11163
684 pt -5.40964 19.07807 -1.56370 Infinity 0.982837 Infinity
11164
685 pt 7.18685 20.32983 4.21061 -Infinity 0.835646 -Infinity
11165
686 pt 5.40856 20.09765 4.80630 Infinity 0.865561 Infinity
11166
687 pt 7.75821 18.77143 3.30728 Infinity 0.898671 Infinity
11167
688 pt 4.39483 18.66947 -1.00443 -Infinity 1.010313 -Infinity
11168
689 pt 6.23177 18.23127 -0.93607 Infinity 0.994702 Infinity
11169
690 pt 3.49553 17.84575 0.43911 Infinity 1.075787 Infinity
11170
691 pt -5.81877 7.99780 -6.42794 -Infinity 1.826772 -Infinity
11171
692 pt -4.63188 9.19518 -7.28155 Infinity 1.708508 Infinity
11172
693 pt -7.52199 8.11250 -7.23846 Infinity 1.542277 Infinity
11173
694 pt 5.30558 7.12033 -6.74312 -Infinity 1.824694 -Infinity
11174
695 pt 6.93612 7.44342 -7.64200 Infinity 1.512022 Infinity
11175
696 pt 4.65081 8.73983 -6.02230 Infinity 1.837147 Infinity
11176
697 pt -3.27420 16.92809 5.59098 -Infinity 1.052381 -Infinity
11177
698 pt -2.79934 16.12481 3.94771 Infinity 1.164475 Infinity
11178
699 pt -4.83245 16.10229 6.26994 Infinity 1.054056 Infinity
11179
700 pt 10.51252 12.75893 5.91029 -Infinity 1.006264 -Infinity
11180
701 pt 11.46406 14.06129 4.92566 Infinity 0.943948 Infinity
11181
702 pt 11.55861 12.18783 7.37678 Infinity 0.940182 Infinity
11182
703 pt 21.02073 11.18788 5.73529 -Infinity 0.672446 -Infinity
11183
704 pt 21.66296 9.94320 4.46668 Infinity 0.675379 Infinity
11184
705 pt 20.70566 10.30880 7.37816 Infinity 0.672899 Infinity
11185
706 pt 11.20937 10.51556 -3.38203 -Infinity 1.166341 -Infinity
11186
707 pt 11.48667 8.96437 -4.42509 Infinity 1.186735 Infinity
11187
708 pt 12.62682 10.70716 -2.14704 Infinity 1.073988 Infinity
11188
709 pt 16.06061 9.91993 4.83480 -Infinity 0.857926 -Infinity
11189
710 pt 17.84160 10.54766 4.90630 Infinity 0.781433 Infinity
11190
711 pt 15.21809 10.22135 6.49924 Infinity 0.858775 Infinity
11191
712 pt 17.75792 17.66393 4.65601 -Infinity 0.674480 -Infinity
11192
713 pt 17.42672 18.04201 6.47766 Infinity 0.661009 Infinity
11193
714 pt 19.60913 17.81332 4.30706 Infinity 0.635380 Infinity
11194
715 pt 14.98490 17.10313 -3.44560 -Infinity 0.775125 -Infinity
11195
716 pt 14.76778 16.76149 -1.59974 Infinity 0.795117 Infinity
11196
717 pt 16.74633 16.65918 -3.96652 Infinity 0.734353 Infinity
11197
718 pt 14.03992 15.74712 1.58747 -Infinity 0.838125 -Infinity
11198
719 pt 15.34080 16.47474 2.74908 Infinity 0.771743 Infinity
11199
720 pt 14.54355 13.99343 1.09552 Infinity 0.871198 Infinity
11200
721 pt 18.99370 8.50352 -2.41118 -Infinity 0.795422 -Infinity
11201
722 pt 19.44913 9.04610 -4.16311 Infinity 0.766259 Infinity
11202
723 pt 18.42884 6.70035 -2.43589 Infinity 0.833200 Infinity
11203
724 pt 8.85096 16.48081 0.99140 -Infinity 0.999184 -Infinity
11204
725 pt 10.73546 16.40645 1.11062 Infinity 0.933792 Infinity
11205
726 pt 8.17348 14.75556 0.62317 Infinity 1.128000 Infinity
11206
727 pt 7.14383 11.58928 -0.29710 -Infinity 1.454097 -Infinity
11207
728 pt 7.40497 10.45314 1.19020 Infinity 1.506768 Infinity
11208
729 pt 8.46421 11.23447 -1.60163 Infinity 1.367721 Infinity
11209
730 pt 19.81224 16.06570 -5.07811 -Infinity 0.662902 -Infinity
11210
731 pt 20.03934 16.89812 -6.75935 Infinity 0.637621 Infinity
11211
732 pt 20.82778 16.98520 -3.77647 Infinity 0.632494 Infinity
11212
733 pt 11.45761 14.85066 -6.33229 -Infinity 0.930666 -Infinity
11213
734 pt 11.11919 13.25386 -5.38005 Infinity 1.022365 Infinity
11214
735 pt 12.79665 15.84403 -5.44275 Infinity 0.862493 Infinity
11215
736 pt 12.05185 21.30958 -4.22414 -Infinity 0.730371 -Infinity
11216
737 pt 11.29606 21.78186 -2.55777 Infinity 0.737363 Infinity
11217
738 pt 13.19789 19.82402 -3.99883 Infinity 0.747624 Infinity
11218
739 pt 8.22933 8.58297 3.72200 -Infinity 1.445914 -Infinity
11219
740 pt 9.25770 10.05860 4.30169 Infinity 1.248027 Infinity
11220
741 pt 7.92215 7.41733 5.17732 Infinity 1.440340 Infinity
11221
742 pt 15.15189 10.95721 -0.04346 -Infinity 0.926302 -Infinity
11222
743 pt 15.25736 10.37298 1.75058 Infinity 0.923058 Infinity
11223
744 pt 16.58024 10.21530 -1.03364 Infinity 0.875703 Infinity
11224
745 pt -17.86368 -6.72738 21.14779 -Infinity 0.533441 -Infinity
11225
746 pt -17.49531 -7.28540 22.91527 Infinity 0.510917 Infinity
11226
747 pt -17.77190 -8.21397 19.98474 Infinity 0.539694 Infinity
11227
748 pt -17.83783 -10.42268 17.78672 -Infinity 0.548708 -Infinity
11228
749 pt -17.79939 -10.25217 15.90510 Infinity 0.574159 Infinity
11229
750 pt -16.96426 -12.01990 18.29350 Infinity 0.537016 Infinity
11230
751 pt -13.40368 -15.47951 10.67088 -Infinity 0.619861 -Infinity
11231
752 pt -13.53829 -13.67011 11.19911 Infinity 0.644364 Infinity
11232
753 pt -12.62790 -15.57854 8.95059 Infinity 0.646092 Infinity
11233
754 pt -9.03127 -8.80733 21.17836 -Infinity 0.595736 -Infinity
11234
755 pt -8.72984 -7.03536 21.76174 Infinity 0.603937 Infinity
11235
756 pt -7.41888 -9.78769 21.27923 Infinity 0.593596 Infinity
11236
757 pt -10.10063 -18.37839 13.55776 -Infinity 0.569881 -Infinity
11237
758 pt -11.10069 -17.13022 12.55128 Infinity 0.593672 Infinity
11238
759 pt -9.06127 -19.44148 12.39130 Infinity 0.571160 Infinity
11239
760 pt -7.73996 -19.83491 18.06086 -Infinity 0.514395 -Infinity
11240
761 pt -8.67690 -21.45781 18.30455 Infinity 0.489161 Infinity
11241
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11242
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11243
764 pt -16.76592 -9.99743 12.24522 Infinity 0.640627 Infinity
11244
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11245
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11246
767 pt -11.96667 -19.32979 7.31538 Infinity 0.593840 Infinity
11247
768 pt -14.49802 -21.07771 7.56795 Infinity 0.540135 Infinity
11248
769 pt -13.47256 -10.58728 12.60293 -Infinity 0.679592 -Infinity
11249
770 pt -12.33094 -9.39953 11.67717 Infinity 0.738539 Infinity
11250
771 pt -12.78418 -10.90337 14.33420 Infinity 0.655005 Infinity
11251
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11252
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11253
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11254
775 pt -11.49720 -11.71177 17.27748 -Infinity 0.608764 -Infinity
11255
776 pt -11.11700 -10.47763 18.65712 Infinity 0.605167 Infinity
11256
777 pt -9.88754 -12.49068 16.66643 Infinity 0.622460 Infinity
11257
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11258
779 pt 1.31045 -7.67131 20.75297 Infinity 0.648851 Infinity
11259
780 pt 1.02897 -7.43533 17.68836 Infinity 0.732251 Infinity
11260
781 pt 7.20436 -8.05429 13.79590 -Infinity 0.782231 -Infinity
11261
782 pt 6.62346 -6.57518 14.81858 Infinity 0.791370 Infinity
11262
783 pt 5.73908 -8.78191 12.85007 Infinity 0.812108 Infinity
11263
784 pt 7.76604 -14.70598 13.02328 -Infinity 0.650650 -Infinity
11264
785 pt 6.99490 -13.08570 13.61583 Infinity 0.680551 Infinity
11265
786 pt 6.55057 -15.60597 11.89026 Infinity 0.659199 Infinity
11266
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11267
788 pt -0.84936 -18.80560 12.82840 Infinity 0.606222 Infinity
11268
789 pt 0.04430 -21.44387 11.49885 Infinity 0.570328 Infinity
11269
790 pt -6.70180 -12.71455 15.81552 -Infinity 0.658952 -Infinity
11270
791 pt -6.56357 -10.89036 15.34196 Infinity 0.704444 Infinity
11271
792 pt -5.33476 -13.15272 17.04445 Infinity 0.636256 Infinity
11272
793 pt 4.18350 -17.03331 10.04951 -Infinity 0.668048 -Infinity
11273
794 pt 3.04780 -18.20174 11.00660 Infinity 0.634516 Infinity
11274
795 pt 3.15168 -15.97280 8.87404 Infinity 0.717379 Infinity
11275
796 pt -6.54513 -7.68302 14.28461 -Infinity 0.800697 -Infinity
11276
797 pt -5.80656 -8.26281 12.64467 Infinity 0.847125 Infinity
11277
798 pt -5.50136 -6.27069 14.98241 Infinity 0.820619 Infinity
11278
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11279
800 pt -0.12635 -21.20716 17.82002 Infinity 0.512708 Infinity
11280
801 pt 1.78200 -19.93944 15.75171 Infinity 0.550704 Infinity
11281
802 pt 3.08733 -9.67064 11.44633 -Infinity 0.858270 -Infinity
11282
803 pt 2.31978 -10.08101 9.76898 Infinity 0.902335 Infinity
11283
804 pt 1.76467 -8.94637 12.58522 Infinity 0.854470 Infinity
11284
805 pt -3.70746 -16.64422 13.77096 -Infinity 0.631989 -Infinity
11285
806 pt -5.19638 -15.55737 14.18681 Infinity 0.641531 Infinity
11286
807 pt -3.57429 -16.84154 11.89629 Infinity 0.655382 Infinity
11287
808 pt -3.06809 -17.24959 8.86368 -Infinity 0.688113 -Infinity
11288
809 pt -1.70211 -16.29009 7.97794 Infinity 0.730350 Infinity
11289
810 pt -3.78968 -18.54567 7.69297 Infinity 0.665184 Infinity
11290
811 pt -0.63321 -7.83309 14.61159 -Infinity 0.823184 -Infinity
11291
812 pt -1.75243 -8.84506 13.47391 Infinity 0.833092 Infinity
11292
813 pt -1.42404 -6.14832 14.93899 Infinity 0.851412 Infinity
11293
814 pt -2.77862 -14.83545 18.63299 -Infinity 0.590524 -Infinity
11294
815 pt -2.74439 -15.72080 16.96384 Infinity 0.602856 Infinity
11295
816 pt -1.77457 -15.82399 19.89225 Infinity 0.558942 Infinity
11296
817 pt 5.72332 -20.72129 20.64062 -Infinity 0.481537 -Infinity
11297
818 pt 5.11329 -22.10292 21.77642 Infinity 0.458743 Infinity
11298
819 pt 4.47252 -20.44878 19.25055 Infinity 0.501410 Infinity
11299
820 pt -3.87568 -9.25129 10.15282 -Infinity 0.919671 -Infinity
11300
821 pt -3.37928 -10.70206 9.04833 Infinity 0.900728 Infinity
11301
822 pt -4.33155 -7.76622 9.07680 Infinity 1.018600 Infinity
11302
823 pt 10.34835 -9.49958 17.59389 -Infinity 0.632420 -Infinity
11303
824 pt 9.30095 -9.02091 16.09559 Infinity 0.680777 Infinity
11304
825 pt 9.22200 -10.11824 18.97941 Infinity 0.610398 Infinity
11305
826 pt 15.16747 -9.43815 12.28269 -Infinity 0.655170 -Infinity
11306
827 pt 14.65659 -7.94001 13.31498 Infinity 0.668844 Infinity
11307
828 pt 16.83834 -10.08106 12.88761 Infinity 0.611173 Infinity
11308
829 pt 13.85189 -13.16258 17.73513 -Infinity 0.550904 -Infinity
11309
830 pt 13.83044 -14.08907 16.08825 Infinity 0.560224 Infinity
11310
831 pt 12.48819 -11.85439 17.74093 Infinity 0.578814 Infinity
11311
832 pt 19.65290 -11.14100 14.31441 -Infinity 0.544630 -Infinity
11312
833 pt 19.20180 -10.54845 16.05120 Infinity 0.538036 Infinity
11313
834 pt 21.35990 -10.47961 13.84562 Infinity 0.532903 Infinity
11314
835 pt 13.63113 -19.83526 8.24221 -Infinity 0.552318 -Infinity
11315
836 pt 14.68382 -18.57292 9.17464 Infinity 0.555139 Infinity
11316
837 pt 11.82784 -19.27034 8.23455 Infinity 0.578477 Infinity
11317
838 pt 12.96204 -14.11224 12.55146 -Infinity 0.611985 -Infinity
11318
839 pt 11.07582 -14.21070 12.49223 Infinity 0.633403 Infinity
11319
840 pt 13.51037 -12.32836 12.25450 Infinity 0.637222 Infinity
11320
841 pt 20.72500 -13.85278 9.48201 -Infinity 0.542526 -Infinity
11321
842 pt 20.72052 -12.68172 10.96514 Infinity 0.544518 Infinity
11322
843 pt 21.86267 -13.16539 8.13878 Infinity 0.542691 Infinity
11323
844 pt 13.58072 -7.55220 7.80552 -Infinity 0.796223 -Infinity
11324
845 pt 11.96342 -6.70451 8.29219 Infinity 0.853495 Infinity
11325
846 pt 14.27595 -8.48667 9.29364 Infinity 0.734641 Infinity
11326
847 pt 17.00849 -9.18742 18.65710 -Infinity 0.544994 -Infinity
11327
848 pt 16.09018 -10.81677 18.38694 Infinity 0.544188 Infinity
11328
849 pt 16.13603 -8.18693 20.00205 Infinity 0.544872 Infinity
11329
850 pt 10.69447 -18.87821 14.87486 -Infinity 0.536954 -Infinity
11330
851 pt 12.18824 -18.69702 13.73168 Infinity 0.539214 Infinity
11331
852 pt 9.42891 -17.53229 14.47748 Infinity 0.569332 Infinity
11332
853 pt 8.54040 -18.70954 7.59683 -Infinity 0.623919 -Infinity
11333
854 pt 8.14830 -20.18493 6.48303 Infinity 0.604456 Infinity
11334
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11335
856 pt 16.92280 -16.90001 10.87392 -Infinity 0.542466 -Infinity
11336
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11337
858 pt 15.60625 -15.77015 11.62303 Infinity 0.566022 Infinity
11338
859 pt -14.35786 1.01060 18.28952 -Infinity 0.668874 -Infinity
11339
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11340
861 pt -15.21829 -0.58864 17.76688 Infinity 0.660218 Infinity
11341
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11342
863 pt -9.38839 -5.84328 15.22949 Infinity 0.768984 Infinity
11343
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11344
865 pt -18.95545 4.15386 8.42964 -Infinity 0.773309 -Infinity
11345
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11346
867 pt -19.87395 4.08392 6.77963 Infinity 0.768209 Infinity
11347
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11348
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11349
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11350
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11351
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11352
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11353
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11354
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11355
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11356
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11357
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11358
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11359
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11360
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11361
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11362
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11363
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11364
885 pt -19.34240 -4.24397 10.28538 Infinity 0.687392 Infinity
11365
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11366
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11367
888 pt -11.89258 -2.65034 13.02635 Infinity 0.836534 Infinity
11368
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11369
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11370
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11371
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11372
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11373
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11374
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11375
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11376
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11377
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11378
899 pt 4.26697 -4.96272 17.81703 Infinity 0.750477 Infinity
11379
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11380
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11381
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11382
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11383
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11384
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11385
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11386
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11387
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11388
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11389
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11390
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11391
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11392
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11393
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11394
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11395
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11396
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11397
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11398
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11399
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11400
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11401
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11402
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11403
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11404
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11405
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11406
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11407
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11408
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11409
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11410
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11411
932 pt 3.39598 2.93910 19.72392 Infinity 0.754692 Infinity
11412
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11413
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11414
935 pt -1.45898 4.50417 14.48440 Infinity 1.022449 Infinity
11415
936 pt -0.36954 2.80484 16.81938 Infinity 0.891730 Infinity
11416
937 pt -6.64425 3.06743 20.98053 -Infinity 0.698460 -Infinity
11417
938 pt -8.05623 3.05403 22.23640 Infinity 0.652721 Infinity
11418
939 pt -5.08996 3.77883 21.78622 Infinity 0.685817 Infinity
11419
940 pt -3.54157 6.82065 13.62282 -Infinity 1.040157 -Infinity
11420
941 pt -4.02150 6.90554 11.79703 Infinity 1.160871 Infinity
11421
942 pt -5.07583 6.45005 14.66193 Infinity 0.960616 Infinity
11422
943 pt 15.28954 2.36986 10.19337 -Infinity 0.822767 -Infinity
11423
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11424
945 pt 15.82133 0.65151 10.77263 Infinity 0.784279 Infinity
11425
946 pt 13.60355 5.48759 20.47038 -Infinity 0.619192 -Infinity
11426
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11427
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11428
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11429
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11430
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11431
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11432
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11433
954 pt 19.21926 -6.91543 18.05700 Infinity 0.543160 Infinity
11434
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11435
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11436
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11437
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11438
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11439
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11440
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11441
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11442
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11443
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11444
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11445
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11446
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11447
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11448
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11449
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11450
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11451
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11452
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11453
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11454
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11455
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11456
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11457
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11458
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11459
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11460
981 pt 20.28909 -2.38668 18.56463 Infinity 0.547031 Infinity
11461
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11462
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11463
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11464
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11465
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11466
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11467
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11468
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11469
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11470
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11471
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11472
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11473
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11474
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11475
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11476
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11477
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11478
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11479
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11480
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11481
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11482
1003 pt -11.12408 8.79062 10.23757 -Infinity 0.978503 -Infinity
11483
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11484
1005 pt -11.29046 7.03717 10.92223 Infinity 0.971112 Infinity
11485
1006 pt -21.45675 14.31266 12.50291 -Infinity 0.589539 -Infinity
11486
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11487
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11488
1009 pt -16.10633 17.16413 16.42901 -Infinity 0.590758 -Infinity
11489
1010 pt -14.88178 15.81373 15.93108 Infinity 0.630029 Infinity
11490
1011 pt -15.33966 18.86105 16.10691 Infinity 0.584953 Infinity
11491
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11492
1013 pt -9.74674 20.75071 9.58559 Infinity 0.719795 Infinity
11493
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11494
1015 pt -0.48096 9.94791 16.49141 -Infinity 0.855202 -Infinity
11495
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11496
1017 pt -1.23474 11.66781 16.70311 Infinity 0.817733 Infinity
11497
1018 pt 3.68075 8.66128 10.59626 -Infinity 1.192530 -Infinity
11498
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11499
1020 pt 4.73096 10.13819 11.13184 Infinity 1.079543 Infinity
11500
1021 pt -1.30131 18.55493 10.05203 -Infinity 0.856120 -Infinity
11501
1022 pt -1.82915 17.95009 8.34129 Infinity 0.927478 Infinity
11502
1023 pt -2.56975 17.99795 11.33729 Infinity 0.835335 Infinity
11503
1024 pt -2.85349 14.51688 16.98704 -Infinity 0.752519 -Infinity
11504
1025 pt -3.94520 15.24942 15.62961 Infinity 0.773624 Infinity
11505
1026 pt -3.85797 14.34022 18.57791 Infinity 0.705805 Infinity
11506
1027 pt -3.24106 20.38192 17.67302 -Infinity 0.631633 -Infinity
11507
1028 pt -3.66432 19.21288 16.24991 Infinity 0.679159 Infinity
11508
1029 pt -4.67239 21.58458 17.94860 Infinity 0.603144 Infinity
11509
1030 pt -5.50453 17.17533 13.19699 -Infinity 0.786221 -Infinity
11510
1031 pt -6.44576 15.59295 12.77130 Infinity 0.829612 Infinity
11511
1032 pt -6.37051 18.65683 12.40559 Infinity 0.759348 Infinity
11512
1033 pt -0.02937 6.98844 7.01504 -Infinity 1.806997 -Infinity
11513
1034 pt 1.14899 7.71722 8.30012 Infinity 1.535301 Infinity
11514
1035 pt -1.77525 6.90801 7.73373 Infinity 1.672675 Infinity
11515
1036 pt 6.77367 11.90334 13.32148 -Infinity 0.881351 -Infinity
11516
1037 pt 5.80177 11.93368 14.94183 Infinity 0.835867 Infinity
11517
1038 pt 7.65526 13.55779 13.08345 Infinity 0.835838 Infinity
11518
1039 pt 5.41851 14.45455 19.72898 -Infinity 0.660623 -Infinity
11519
1040 pt 4.29088 15.23998 18.43183 Infinity 0.688597 Infinity
11520
1041 pt 7.21713 14.89356 19.35042 Infinity 0.650438 Infinity
11521
1042 pt 2.49851 10.30866 20.89697 -Infinity 0.689881 -Infinity
11522
1043 pt 3.64088 11.79063 20.63275 Infinity 0.678224 Infinity
11523
1044 pt 1.29430 10.17383 19.44688 Infinity 0.739040 Infinity
11524
1045 pt 2.09371 16.12597 16.25688 -Infinity 0.741956 -Infinity
11525
1046 pt 2.10747 16.98531 14.57390 Infinity 0.769955 Infinity
11526
1047 pt 0.33337 15.57740 16.67084 Infinity 0.745864 Infinity
11527
1048 pt 14.28634 10.91695 9.52731 -Infinity 0.816636 -Infinity
11528
1049 pt 13.02180 9.86393 10.45639 Infinity 0.849714 Infinity
11529
1050 pt 16.02888 10.46099 10.09890 Infinity 0.758883 Infinity
11530
1051 pt 14.29889 13.47435 16.69262 -Infinity 0.636247 -Infinity
11531
1052 pt 15.92983 13.60117 17.63867 Infinity 0.596117 Infinity
11532
1053 pt 14.47159 14.33509 15.01920 Infinity 0.654076 Infinity
11533
1054 pt 17.03841 19.26055 9.68543 -Infinity 0.619093 -Infinity
11534
1055 pt 18.47326 20.07916 10.60311 Infinity 0.577613 Infinity
11535
1056 pt 15.79857 20.58105 9.14676 Infinity 0.623839 Infinity
11536
1057 pt 9.26623 16.36009 13.02088 -Infinity 0.748437 -Infinity
11537
1058 pt 11.08686 16.06847 12.60695 Infinity 0.732737 Infinity
11538
1059 pt 8.92709 18.21740 13.10118 Infinity 0.712922 Infinity
11539
1060 pt 10.65503 21.04999 19.19415 -Infinity 0.551962 -Infinity
11540
1061 pt 10.86230 21.99382 17.57017 Infinity 0.560299 Infinity
11541
1062 pt 8.92990 21.37179 19.89518 Infinity 0.550372 Infinity
11542
1063 pt 15.69520 8.39277 16.71259 -Infinity 0.652074 -Infinity
11543
1064 pt 17.58459 8.39921 16.74756 Infinity 0.618999 Infinity
11544
1065 pt 15.05866 10.17178 16.68111 Infinity 0.652735 Infinity
11545
1066 pt 19.27245 9.98681 10.68191 -Infinity 0.670444 -Infinity
11546
1067 pt 19.84427 11.65579 11.35911 Infinity 0.635967 Infinity
11547
1068 pt 20.29169 8.60382 11.46902 Infinity 0.645449 Infinity
11548
1069 pt 14.24260 15.54851 11.91662 -Infinity 0.695995 -Infinity
11549
1070 pt 14.42127 13.96236 10.90506 Infinity 0.735693 Infinity
11550
1071 pt 15.37542 16.88249 11.20369 Infinity 0.665121 Infinity
11551
1072 pt 18.29873 13.25480 20.01465 -Infinity 0.535769 -Infinity
11552
1073 pt 18.56624 15.10156 20.31295 Infinity 0.518111 Infinity
11553
1074 pt 19.95322 12.34986 20.13632 Infinity 0.520393 Infinity
11554
1075 pt 20.88558 8.61600 16.89172 -Infinity 0.563671 -Infinity
11555
1076 pt 21.94353 7.99195 15.45563 Infinity 0.566886 Infinity
11556
1077 pt 21.96533 9.60164 18.08910 Infinity 0.530844 Infinity
11557
1078 pt 10.59271 15.77112 19.59746 -Infinity 0.605116 -Infinity
11558
1079 pt 10.73961 17.64400 19.39296 Infinity 0.586964 Infinity
11559
1080 pt 11.68370 14.90918 18.31767 Infinity 0.626189 Infinity
11560
1081 pt 10.49784 8.34353 11.76116 -Infinity 0.911413 -Infinity
11561
1082 pt 11.20180 7.01540 12.90640 Infinity 0.862323 Infinity
11562
1083 pt 9.29400 9.43500 12.72581 Infinity 0.893600 Infinity
11568
1 a.u. = 0.171524 10**(-8) dyn/esu
11570
Atom X Y Z Electric field (a.u.)
11572
------------------------------------------------------------------------------------------------
11573
------------------------------------------------------------------------
11575
------------------------------------------------------------------------
11576
quantum energy -114.253205360 (-.299972E+06 kjoule/mol)
11577
quantum energy adjusted -114.253205360 (-.299972E+06 kjoule/mol)
11578
quantum energy internal -114.356243675 (-.300242E+06 kjoule/mol)
11579
Bq-nuclear energy 0.103038315 (0.270527E+03 kjoule/mol)
11580
Bq-electron energy 0.000000000 (0.000000E+00 kjoule/mol)
11581
classical energy -7.460562046 (-.195877E+05 kjoule/mol)
11582
total qmmm energy -121.713767406 (-.319559E+06 kjoule/mol)
11583
------------------------------------------------------------------------
11585
reducing step 1.25000000000000003E-3 7.15447204525896134E-5 1.00000000000000008E-5
11586
Total number of active Bq charges 1083
11587
frozen_density,esp T T
11588
disabling frozen_density,esp due to active qm atoms
11594
ao basis = "ao basis"
11601
input vectors = /home/d3p975/codes/nwchem-svn/nwchem/QA/tests/tce_qmmm_ccsd_opt/perm/fmd.movecs
11602
output vectors = /home/d3p975/codes/nwchem-svn/nwchem/QA/tests/tce_qmmm_ccsd_opt/perm/fmd.movecs
11607
Summary of "ao basis" -> "ao basis" (cartesian)
11608
------------------------------------------------------------------------------
11609
Tag Description Shells Functions and Types
11610
---------------- ------------------------------ ------ ---------------------
11611
O cc-pVDZ 6 15 3s2p1d
11612
C cc-pVDZ 6 15 3s2p1d
11617
Forming initial guess at 489.4s
11620
Loading old vectors from job with title :
11624
Nuclear repulsion energy = 31.059713351810359
11625
Bq nuclear interaction energy = 0.10311366797071356
11627
Starting SCF solution at 489.4s
11631
----------------------------------------------
11632
Quadratically convergent ROHF
11634
Convergence threshold : 1.000E-10
11635
Maximum no. of iterations : 200
11636
Final Fock-matrix accuracy: 0.000E+00
11637
----------------------------------------------
11640
#quartets = 1.471E+04 #integrals = 3.757E+05 #direct = 0.0% #cached =100.0%
11643
Integral file = /scratch/fmd.aoints.00
11644
Record size in doubles = 65536 No. of integs per rec = 43688
11645
Max. records in memory = 2 Max. records in file = 225827
11646
No. of bits per label = 8 No. of bits per value = 64
11649
File balance: exchanges= 0 moved= 0 time= 0.0
11651
Nuclear repulsion energy = 31.059713351810359
11652
Bq nuclear interaction energy = 0.10311366797071356
11654
iter energy gnorm gmax time
11655
----- ------------------- --------- --------- --------
11656
1 -113.9148446958 1.14E-03 3.14E-04 437.4
11657
Nuclear repulsion energy = 31.059713351810359
11658
Bq nuclear interaction energy = 0.10311366797071356
11659
2 -113.9148447956 4.96E-07 1.40E-07 437.6
11660
Nuclear repulsion energy = 31.059713351810359
11661
Bq nuclear interaction energy = 0.10311366797071356
11662
3 -113.9148447956 2.22E-12 4.70E-13 438.0
11663
Nuclear repulsion energy = 31.059713351810359
11664
Bq nuclear interaction energy = 0.10311366797071356
11670
Total SCF energy = -113.914844795591
11671
One-electron energy = -217.242411842738
11672
Two-electron energy = 72.164740027366
11673
Nuclear repulsion energy = 31.162827019781
11675
Time for solution = 0.7s
11701
ROHF Final Molecular Orbital Analysis
11702
-------------------------------------
11704
Vector 2 Occ=2.000000E+00 E=-1.134267E+01
11705
MO Center= 2.3E-01, 2.2E+00, -5.9E-01, r^2= 2.7E-02
11706
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
11707
----- ------------ --------------- ----- ------------ ---------------
11710
Vector 3 Occ=2.000000E+00 E=-1.396266E+00
11711
MO Center= -5.8E-01, 1.8E+00, -5.6E-01, r^2= 5.0E-01
11712
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
11713
----- ------------ --------------- ----- ------------ ---------------
11714
2 0.409220 1 O s 3 0.388298 1 O s
11715
17 0.207536 2 C s 19 -0.164025 2 C px
11717
Vector 4 Occ=2.000000E+00 E=-8.541251E-01
11718
MO Center= 1.8E-01, 2.1E+00, -5.8E-01, r^2= 1.4E+00
11719
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
11720
----- ------------ --------------- ----- ------------ ---------------
11721
17 0.355232 2 C s 3 -0.260903 1 O s
11722
18 0.234555 2 C s 31 0.228120 3 H s
11723
36 0.225596 4 H s 2 -0.192138 1 O s
11726
Vector 5 Occ=2.000000E+00 E=-6.770149E-01
11727
MO Center= -2.2E-02, 2.0E+00, -5.8E-01, r^2= 1.3E+00
11728
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
11729
----- ------------ --------------- ----- ------------ ---------------
11730
21 0.368680 2 C pz 6 0.334297 1 O pz
11731
36 -0.235786 4 H s 31 0.232790 3 H s
11734
Vector 6 Occ=2.000000E+00 E=-6.505791E-01
11735
MO Center= -5.0E-01, 1.8E+00, -5.5E-01, r^2= 1.3E+00
11736
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
11737
----- ------------ --------------- ----- ------------ ---------------
11738
4 0.436887 1 O px 19 -0.350945 2 C px
11739
7 0.289931 1 O px 3 -0.254988 1 O s
11740
5 0.203654 1 O py 20 -0.170736 2 C py
11742
Vector 7 Occ=2.000000E+00 E=-5.269625E-01
11743
MO Center= -5.5E-01, 1.8E+00, -5.6E-01, r^2= 9.2E-01
11744
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
11745
----- ------------ --------------- ----- ------------ ---------------
11746
5 0.431539 1 O py 8 0.313046 1 O py
11747
20 0.262894 2 C py 4 -0.192827 1 O px
11748
6 0.182620 1 O pz 23 0.150507 2 C py
11750
Vector 8 Occ=2.000000E+00 E=-4.362258E-01
11751
MO Center= -2.6E-01, 1.9E+00, -5.7E-01, r^2= 1.6E+00
11752
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
11753
----- ------------ --------------- ----- ------------ ---------------
11754
6 0.485997 1 O pz 9 0.408169 1 O pz
11755
31 -0.255748 3 H s 36 0.254989 4 H s
11756
21 -0.216609 2 C pz 5 -0.164128 1 O py
11758
Vector 9 Occ=0.000000E+00 E= 1.470141E-01
11759
MO Center= 4.2E-02, 2.1E+00, -5.8E-01, r^2= 1.7E+00
11760
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
11761
----- ------------ --------------- ----- ------------ ---------------
11762
23 0.584777 2 C py 8 -0.417668 1 O py
11763
20 0.370474 2 C py 5 -0.300431 1 O py
11764
22 -0.275949 2 C px 24 0.250447 2 C pz
11765
7 0.195876 1 O px 9 -0.175969 1 O pz
11766
19 -0.173630 2 C px 21 0.157111 2 C pz
11768
Vector 10 Occ=0.000000E+00 E= 2.234183E-01
11769
MO Center= 9.4E-01, 2.4E+00, -4.5E-01, r^2= 4.0E+00
11770
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
11771
----- ------------ --------------- ----- ------------ ---------------
11772
18 1.913135 2 C s 32 -1.500828 3 H s
11773
37 -1.238421 4 H s 22 0.606014 2 C px
11774
23 0.257590 2 C py 19 0.166119 2 C px
11776
Vector 11 Occ=0.000000E+00 E= 2.912242E-01
11777
MO Center= 9.8E-01, 2.6E+00, -7.9E-01, r^2= 4.1E+00
11778
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
11779
----- ------------ --------------- ----- ------------ ---------------
11780
37 1.930541 4 H s 32 -1.748121 3 H s
11781
24 1.292751 2 C pz 23 -0.448768 2 C py
11782
21 0.340842 2 C pz 9 -0.273448 1 O pz
11785
Vector 12 Occ=0.000000E+00 E= 3.719371E-01
11786
MO Center= 1.1E-01, 2.1E+00, -5.9E-01, r^2= 3.0E+00
11787
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
11788
----- ------------ --------------- ----- ------------ ---------------
11789
3 1.814910 1 O s 22 1.556898 2 C px
11790
18 -1.384812 2 C s 23 0.739893 2 C py
11791
7 0.622200 1 O px 8 0.297560 1 O py
11793
Vector 13 Occ=0.000000E+00 E= 6.836288E-01
11794
MO Center= 6.7E-01, 2.5E+00, -5.6E-01, r^2= 1.7E+00
11795
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
11796
----- ------------ --------------- ----- ------------ ---------------
11797
18 1.047418 2 C s 31 -0.765394 3 H s
11798
36 -0.747642 4 H s 30 -0.297003 2 C dzz
11799
22 0.290673 2 C px 29 0.282378 2 C dyz
11800
23 0.278603 2 C py 17 -0.214119 2 C s
11801
32 0.198949 3 H s 16 -0.195874 2 C s
11803
Vector 14 Occ=0.000000E+00 E= 6.959927E-01
11804
MO Center= 3.0E-01, 2.1E+00, -6.3E-01, r^2= 1.9E+00
11805
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
11806
----- ------------ --------------- ----- ------------ ---------------
11807
23 0.892845 2 C py 20 -0.866067 2 C py
11808
22 -0.458301 2 C px 19 0.400890 2 C px
11809
21 -0.360895 2 C pz 24 0.357562 2 C pz
11811
Vector 15 Occ=0.000000E+00 E= 7.562281E-01
11812
MO Center= 5.1E-02, 2.1E+00, -5.9E-01, r^2= 2.3E+00
11813
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
11814
----- ------------ --------------- ----- ------------ ---------------
11815
24 1.930020 2 C pz 36 0.704643 4 H s
11816
31 -0.691822 3 H s 32 -0.621212 3 H s
11817
37 0.620494 4 H s 23 -0.620005 2 C py
11818
22 0.374209 2 C px 9 -0.325164 1 O pz
11819
6 -0.297120 1 O pz 21 -0.278180 2 C pz
11821
Vector 16 Occ=0.000000E+00 E= 8.352861E-01
11822
MO Center= 5.5E-01, 2.3E+00, -5.8E-01, r^2= 2.5E+00
11823
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
11824
----- ------------ --------------- ----- ------------ ---------------
11825
24 1.506150 2 C pz 32 -1.501260 3 H s
11826
37 1.450998 4 H s 21 -0.763877 2 C pz
11827
27 0.524169 2 C dxz 23 -0.480193 2 C py
11828
36 -0.364943 4 H s 31 0.351871 3 H s
11829
22 0.326326 2 C px 29 0.265431 2 C dyz
11831
Vector 17 Occ=0.000000E+00 E= 8.943925E-01
11832
MO Center= -2.3E-02, 2.0E+00, -5.8E-01, r^2= 1.5E+00
11833
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
11834
----- ------------ --------------- ----- ------------ ---------------
11835
22 0.953169 2 C px 18 0.918020 2 C s
11836
19 -0.904476 2 C px 37 -0.533933 4 H s
11837
23 0.477736 2 C py 32 -0.469363 3 H s
11838
20 -0.445155 2 C py 7 -0.422123 1 O px
11839
26 -0.307837 2 C dxy 4 -0.266579 1 O px
11841
Vector 18 Occ=0.000000E+00 E= 9.597073E-01
11842
MO Center= 5.7E-01, 2.3E+00, -6.3E-01, r^2= 2.7E+00
11843
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
11844
----- ------------ --------------- ----- ------------ ---------------
11845
18 4.071020 2 C s 17 -1.677082 2 C s
11846
37 -1.315355 4 H s 32 -1.254567 3 H s
11847
16 -0.786778 2 C s 22 0.477807 2 C px
11848
3 -0.457276 1 O s 28 -0.288418 2 C dyy
11849
30 -0.241785 2 C dzz 23 0.236442 2 C py
11854
x = -0.59825618 y = 3.58528503 z = -1.07144364
11856
moments of inertia (a.u.)
11858
15.132261431062 -18.071320587188 0.487100282574
11859
-18.071320587188 44.107656462681 2.589810811431
11860
0.487100282574 2.589810811431 47.934399042602
11862
Mulliken analysis of the total density
11863
--------------------------------------
11865
Atom Charge Shell Charges
11866
----------- ------ -------------------------------------------------------
11867
1 O 8 8.47 2.00 0.83 0.92 2.79 1.90 0.02
11868
2 C 6 5.69 2.00 0.70 0.44 1.83 0.59 0.12
11869
3 H 1 0.93 0.75 0.15 0.03
11870
4 H 1 0.92 0.75 0.14 0.03
11872
Multipole analysis of the density wrt the origin
11873
------------------------------------------------
11875
L x y z total open nuclear
11876
- - - - ----- ---- -------
11877
0 0 0 0 0.000000 0.000000 16.000000
11879
1 1 0 0 1.399231 0.000000 -7.565932
11880
1 0 1 0 0.652018 0.000000 58.334218
11881
1 0 0 1 -0.074858 0.000000 -17.225715
11883
2 2 0 0 -10.034716 0.000000 26.732434
11884
2 1 1 0 4.667765 0.000000 -16.881644
11885
2 1 0 1 -1.466984 0.000000 8.292236
11886
2 0 2 0 -3.687433 0.000000 218.603295
11887
2 0 1 1 -1.062970 0.000000 -65.069183
11888
2 0 0 2 -8.051642 0.000000 24.127739
11890
Nuclear repulsion energy = 31.059713351810359
11891
Bq nuclear interaction energy = 0.10311366797071356
11893
Parallel integral file used 27 records with 0 large values
11895
NWChem Extensible Many-Electron Theory Module
11896
---------------------------------------------
11898
======================================================
11899
This portion of the program was automatically
11900
generated by a Tensor Contraction Engine (TCE).
11901
The development of this portion of the program
11902
and TCE was supported by US Department of Energy,
11903
Office of Science, Office of Basic Energy Science.
11904
TCE is a product of Battelle and PNNL.
11905
Please cite: S.Hirata, J.Phys.Chem.A 107, 9887 (2003).
11906
======================================================
11908
General Information
11909
-------------------
11910
Number of processors : 27
11911
Wavefunction type : Restricted Hartree-Fock
11912
No. of electrons : 16
11913
Alpha electrons : 8
11915
No. of orbitals : 80
11916
Alpha orbitals : 40
11918
Alpha frozen cores : 0
11919
Beta frozen cores : 0
11920
Alpha frozen virtuals : 0
11921
Beta frozen virtuals : 0
11922
Spin multiplicity : singlet
11923
Number of AO functions : 40
11924
Number of AO shells : 18
11925
Use of symmetry is : off
11926
Symmetry adaption is : off
11927
Schwarz screening : 0.00E+00
11929
Correlation Information
11930
-----------------------
11931
Calculation type : Coupled-cluster singles & doubles
11932
Perturbative correction : none
11933
Max iterations : 200
11934
Residual threshold : 0.10E-05
11935
T(0) DIIS level shift : 0.00E+00
11936
L(0) DIIS level shift : 0.00E+00
11937
T(1) DIIS level shift : 0.00E+00
11938
L(1) DIIS level shift : 0.00E+00
11939
T(R) DIIS level shift : 0.00E+00
11940
T(I) DIIS level shift : 0.00E+00
11941
CC-T/L Amplitude update : 5-th order DIIS
11942
I/O scheme : Global Array Library
11946
Available GA space size is 2654059007 doubles
11947
Available MA space size is 49130121 doubles
11949
Maximum block size supplied by input
11950
Maximum block size 12 doubles
11954
Block Spin Irrep Size Offset Alpha
11955
-------------------------------------------------
11956
1 alpha a 8 doubles 0 1
11957
2 beta a 8 doubles 8 1
11958
3 alpha a 10 doubles 16 3
11959
4 alpha a 11 doubles 26 4
11960
5 alpha a 11 doubles 37 5
11961
6 beta a 10 doubles 48 3
11962
7 beta a 11 doubles 58 4
11963
8 beta a 11 doubles 69 5
11965
Global array virtual files algorithm will be used
11967
Parallel file system coherency ......... OK
11969
#quartets = 1.471E+04 #integrals = 3.757E+05 #direct = 0.0% #cached =100.0%
11972
Integral file = /scratch/fmd.aoints.00
11973
Record size in doubles = 65536 No. of integs per rec = 43688
11974
Max. records in memory = 2 Max. records in file = 225827
11975
No. of bits per label = 8 No. of bits per value = 64
11978
File balance: exchanges= 0 moved= 0 time= 0.0
11981
Fock matrix recomputed
11982
1-e file size = 1600
11983
1-e file name = /scratch/fmd.f1
11984
1-e file handle = -993
11985
Cpu & wall time / sec 0.1 0.1
11987
2-e (intermediate) file size = 5769600
11988
2-e (intermediate) file name = /scratch/fmd.v2i
11989
Cpu & wall time / sec 0.1 0.1
11991
2-e file size = 3566009
11992
2-e file name = /scratch/fmd.v2
11993
2-e file handle = -991
11994
Cpu & wall time / sec 0.1 0.1
11997
t1 file name = /scratch/fmd.t1
11998
t1 file handle = -992
11999
Cpu & wall time / sec 0.0
12000
before tce_guess_t2
12003
t2 file size = 109248
12004
t2 file name = /scratch/fmd.t2
12005
t2 file handle = -989
12006
Cpu & wall time / sec 0.0
12009
-----------------------------------------------------------------
12010
Iter Residuum Correlation Cpu Wall V2*C2
12011
-----------------------------------------------------------------
12012
1 0.1516935192384 -0.3227081997716 0.2 0.2 0.0
12013
2 0.0552600011153 -0.3255938798451 0.2 0.2 0.0
12014
3 0.0173624521341 -0.3360497885374 0.2 0.2 0.0
12015
4 0.0105355104233 -0.3365867569742 0.2 0.2 0.0
12016
5 0.0044703019021 -0.3378192132872 0.2 0.2 0.0
12017
MICROCYCLE DIIS UPDATE: 5 5
12018
6 0.0016756737754 -0.3382452029182 0.2 0.2 0.0
12019
7 0.0007053911927 -0.3383548341713 0.2 0.2 0.0
12020
8 0.0003960577192 -0.3383585589510 0.2 0.2 0.0
12021
9 0.0002208661662 -0.3383629259050 0.2 0.2 0.0
12022
10 0.0001322780272 -0.3383680465996 0.2 0.2 0.0
12023
MICROCYCLE DIIS UPDATE: 10 5
12024
11 0.0000238908277 -0.3383746431979 0.2 0.2 0.0
12025
12 0.0000133704760 -0.3383751981065 0.2 0.2 0.0
12026
13 0.0000091412202 -0.3383762084571 0.2 0.2 0.0
12027
14 0.0000069309364 -0.3383762613571 0.2 0.2 0.0
12028
15 0.0000053282144 -0.3383763825379 0.2 0.2 0.0
12029
MICROCYCLE DIIS UPDATE: 15 5
12030
16 0.0000011630426 -0.3383763738736 0.2 0.2 0.0
12031
17 0.0000005959732 -0.3383764642856 0.2 0.2 0.0
12032
-----------------------------------------------------------------
12033
Iterations converged
12034
CCSD correlation energy / hartree = -0.338376464285552
12035
CCSD total energy / hartree = -114.253221259876369
12037
Singles contributions
12039
Doubles contributions
12040
9a (alpha) 9a (beta ) --- 7a (alpha) 7a (beta ) -0.1172542098
12042
CCSD Lambda iterations
12043
--------------------------------------
12044
Iter Residuum Cpu Wall
12045
--------------------------------------
12046
1 1.6755353582005 0.4 0.6
12047
2 0.0293094226347 0.5 0.6
12048
3 0.0031780318219 0.4 0.6
12049
4 0.0003671359819 0.5 0.6
12050
5 0.0001066466699 0.5 0.6
12051
MICROCYCLE DIIS UPDATE: 5 5
12052
6 0.0000239073297 0.5 0.6
12053
7 0.0000046151363 0.5 0.6
12054
8 0.0000014824488 0.5 0.6
12055
9 0.0000004806048 0.5 0.6
12056
--------------------------------------
12057
Iterations converged
12059
MO Z-VEC iterations
12060
--------------------------------------
12061
Iter Residuum Cpu Wall
12062
--------------------------------------
12063
1 0.0234795827939 0.0 0.0
12064
2 0.0076520647450 0.0 0.0
12065
3 0.0030570093642 0.0 0.0
12066
4 0.0027632947704 0.0 0.0
12067
5 0.0017208111049 0.0 0.0
12068
MICROCYCLE DIIS UPDATE: 5 5
12069
6 0.0003192701670 0.0 0.0
12070
7 0.0001722380538 0.0 0.0
12071
8 0.0000810718336 0.0 0.0
12072
9 0.0000689505588 0.0 0.0
12073
10 0.0000365140828 0.0 0.0
12074
MICROCYCLE DIIS UPDATE: 10 5
12075
11 0.0000046337787 0.0 0.0
12076
12 0.0000023057939 0.0 0.0
12077
13 0.0000011563565 0.0 0.0
12078
14 0.0000009730335 0.0 0.0
12079
--------------------------------------
12080
Iterations converged
12082
NWChem Gradients Module
12083
-----------------------
12087
wavefunction = TCE RHF CCSD
12091
ccsd ENERGY GRADIENTS
12093
atom coordinates gradient
12095
1 O -1.631303 3.087369 -1.028151 0.014032 0.002348 0.002527
12096
2 C 0.438622 4.084588 -1.115144 -0.001235 -0.000430 0.000197
12097
3 H 1.757862 4.021850 0.509882 -0.000214 0.000052 -0.000055
12098
4 H 1.094904 5.105885 -2.819527 -0.000898 0.000381 0.000385
12100
----------------------------------------
12101
| Time | 1-e(secs) | 2-e(secs) |
12102
----------------------------------------
12103
| CPU | 0.07 | 0.13 |
12104
----------------------------------------
12105
| WALL | 0.15 | 0.14 |
12106
----------------------------------------
12108
Parallel integral file used 27 records with 0 large values
12110
Bq nuclear interaction energy = 0.10311366797071356
12111
Calculating forces on classical charges
12112
---------------------------------------
12113
Total number of charges 1083
12114
NWChem Property Module
12115
----------------------
12119
---------------------------------------------
12120
Electrostatic potential/diamagnetic shielding
12121
---------------------------------------------
12123
1 a.u. = 9.07618 esu/cm ( or statvolts )
12124
Point X Y Z Total Potential(a.u.) Diamagnetic shielding(a.u.) External Bq potential
12125
1 pt -10.84723 -20.95206 -11.78146 -Infinity 0.557451 -Infinity
12126
2 pt -9.86954 -19.74677 -10.70329 Infinity 0.594236 Infinity
12127
3 pt -12.23975 -21.72296 -10.76280 Infinity 0.541870 Infinity
12128
4 pt -13.12432 -10.66221 -18.89845 -Infinity 0.613884 -Infinity
12129
5 pt -13.17481 -12.55122 -18.91048 Infinity 0.588763 Infinity
12130
6 pt -11.56404 -10.06709 -19.78301 Infinity 0.623509 Infinity
12131
7 pt -16.79699 -8.14740 -16.53412 -Infinity 0.632348 -Infinity
12132
8 pt -17.27884 -9.23445 -15.06537 Infinity 0.632779 Infinity
12133
9 pt -15.30718 -8.90379 -17.41696 Infinity 0.632077 Infinity
12134
10 pt -17.30898 -10.90330 -12.00969 -Infinity 0.648105 -Infinity
12135
11 pt -18.50874 -9.94796 -10.90562 Infinity 0.652614 Infinity
12136
12 pt -16.21979 -12.01827 -10.94126 Infinity 0.661199 Infinity
12137
13 pt -12.84229 -7.70714 -11.71753 -Infinity 0.808878 -Infinity
12138
14 pt -11.59319 -8.74068 -10.74665 Infinity 0.835246 Infinity
12139
15 pt -14.34453 -8.77082 -12.14521 Infinity 0.742119 Infinity
12140
16 pt -16.85206 -17.68011 -11.06739 -Infinity 0.559563 -Infinity
12141
17 pt -15.76932 -16.30360 -10.35749 Infinity 0.599183 Infinity
12142
18 pt -18.60009 -17.53384 -10.36448 Infinity 0.546354 Infinity
12143
19 pt -7.79409 -18.14785 -8.64779 -Infinity 0.662506 -Infinity
12144
20 pt -7.25183 -19.87408 -8.10267 Infinity 0.629518 Infinity
12145
21 pt -7.82011 -16.99304 -7.15220 Infinity 0.705644 Infinity
12146
22 pt -14.30791 -19.61047 -15.39045 -Infinity 0.523828 -Infinity
12147
23 pt -12.76608 -20.03958 -14.38562 Infinity 0.537707 Infinity
12148
24 pt -15.61429 -18.85789 -14.25112 Infinity 0.531977 Infinity
12149
25 pt -9.64833 -10.74056 -8.91994 -Infinity 0.855934 -Infinity
12150
26 pt -9.72122 -10.58857 -7.03775 Infinity 0.894221 Infinity
12151
27 pt -7.84571 -10.70876 -9.48617 Infinity 0.882562 Infinity
12152
28 pt -14.24334 -13.62735 -8.86930 -Infinity 0.686027 -Infinity
12153
29 pt -14.63665 -13.92470 -7.04504 Infinity 0.688606 Infinity
12154
30 pt -12.50957 -12.89285 -9.02937 Infinity 0.732247 Infinity
12155
31 pt 4.17234 -20.91808 -8.89511 -Infinity 0.610424 -Infinity
12156
32 pt 5.42297 -22.28335 -8.51689 Infinity 0.579034 Infinity
12157
33 pt 3.29180 -21.30218 -10.52243 Infinity 0.593602 Infinity
12158
34 pt 4.77664 -17.49376 -15.08387 -Infinity 0.617175 -Infinity
12159
35 pt 6.09922 -17.11458 -13.78846 Infinity 0.633685 Infinity
12160
36 pt 4.17901 -19.27406 -14.87300 Infinity 0.588781 Infinity
12161
37 pt -4.46367 -10.02339 -10.08086 -Infinity 0.951340 -Infinity
12162
38 pt -3.35376 -11.34455 -10.85138 Infinity 0.883448 Infinity
12163
39 pt -3.47825 -9.03697 -8.80533 Infinity 1.057379 Infinity
12164
40 pt -1.01912 -20.36332 -12.13303 -Infinity 0.605326 -Infinity
12165
41 pt -1.27339 -21.50243 -13.61925 Infinity 0.569271 Infinity
12166
42 pt -1.11259 -21.37482 -10.53954 Infinity 0.598156 Infinity
12167
43 pt -0.08713 -17.77605 -20.87779 -Infinity 0.548327 -Infinity
12168
44 pt -0.21103 -18.93207 -19.38806 Infinity 0.550312 Infinity
12169
45 pt 0.74838 -18.68106 -22.31095 Infinity 0.518740 Infinity
12170
46 pt 4.93315 -8.49329 -13.92387 -Infinity 0.863023 -Infinity
12171
47 pt 3.82292 -9.85486 -14.61999 Infinity 0.814447 Infinity
12172
48 pt 4.25572 -6.80448 -14.43383 Infinity 0.905826 Infinity
12173
49 pt 7.03824 -16.37431 -19.51718 -Infinity 0.565966 -Infinity
12174
50 pt 6.72083 -17.79078 -20.72712 Infinity 0.533572 Infinity
12175
51 pt 6.03643 -16.65551 -17.93973 Infinity 0.587924 Infinity
12176
52 pt -4.71591 -16.93543 -12.62987 -Infinity 0.667931 -Infinity
12177
53 pt -3.37892 -18.26962 -12.57116 Infinity 0.642594 Infinity
12178
54 pt -5.96766 -17.23526 -11.24629 Infinity 0.671430 Infinity
12179
55 pt -4.53577 -11.35453 -20.77147 -Infinity 0.637964 -Infinity
12180
56 pt -4.98153 -12.25795 -19.17266 Infinity 0.653168 Infinity
12181
57 pt -3.82524 -12.58688 -22.01547 Infinity 0.599239 Infinity
12182
58 pt -0.95776 -13.55463 -11.75497 -Infinity 0.789884 -Infinity
12183
59 pt 0.47152 -14.29957 -10.76842 Infinity 0.783132 Infinity
12184
60 pt -2.27347 -14.87724 -12.05609 Infinity 0.740736 Infinity
12185
61 pt 2.07895 -12.46036 -15.73869 -Infinity 0.728696 -Infinity
12186
62 pt 2.94445 -14.11610 -16.02244 Infinity 0.681106 Infinity
12187
63 pt 0.77920 -12.65243 -14.38045 Infinity 0.758433 Infinity
12188
64 pt -6.00158 -13.76493 -16.51293 -Infinity 0.669732 -Infinity
12189
65 pt -7.05943 -12.50405 -15.58439 Infinity 0.706356 Infinity
12190
66 pt -5.38350 -15.08095 -15.30582 Infinity 0.666621 Infinity
12191
67 pt 7.22251 -11.46515 -21.36665 -Infinity 0.604133 -Infinity
12192
68 pt 7.28987 -13.27500 -20.82724 Infinity 0.588658 Infinity
12193
69 pt 5.42112 -10.94078 -21.59271 Infinity 0.617985 Infinity
12194
70 pt 3.25646 -15.52294 -9.20441 -Infinity 0.755412 -Infinity
12195
71 pt 3.17872 -17.38271 -8.87841 Infinity 0.703401 Infinity
12196
72 pt 4.99112 -15.05733 -9.79197 Infinity 0.748214 Infinity
12197
73 pt 0.15304 -9.35991 -19.53028 -Infinity 0.707777 -Infinity
12198
74 pt -1.61594 -9.88576 -19.93682 Infinity 0.688153 Infinity
12199
75 pt 0.85428 -10.48963 -18.18750 Infinity 0.718853 Infinity
12200
76 pt -0.87106 -7.57185 -7.14326 -Infinity 1.252136 -Infinity
12201
77 pt 0.40400 -6.36168 -7.83663 Infinity 1.316188 Infinity
12202
78 pt 0.00402 -9.13610 -6.54458 Infinity 1.148169 Infinity
12203
79 pt 8.90602 -16.16124 -12.07934 -Infinity 0.651226 -Infinity
12204
80 pt 10.06345 -16.80113 -13.42914 Infinity 0.611732 Infinity
12205
81 pt 9.41687 -16.89020 -10.41239 Infinity 0.648347 Infinity
12206
82 pt 15.56928 -12.16173 -16.15771 -Infinity 0.589071 -Infinity
12207
83 pt 13.87594 -11.50907 -15.63073 Infinity 0.627414 Infinity
12208
84 pt 15.38859 -13.18072 -17.73888 Infinity 0.560312 Infinity
12209
85 pt 10.46901 -9.04919 -18.18007 -Infinity 0.666632 -Infinity
12210
86 pt 10.20629 -9.86869 -16.49767 Infinity 0.690364 Infinity
12211
87 pt 9.37497 -9.89184 -19.47007 Infinity 0.642015 Infinity
12212
88 pt 11.63256 -16.92691 -16.83804 -Infinity 0.558470 -Infinity
12213
89 pt 12.95383 -16.38645 -18.07626 Infinity 0.541415 Infinity
12214
90 pt 9.94404 -16.94838 -17.68626 Infinity 0.561876 Infinity
12215
91 pt 9.45735 -11.17968 -13.70332 -Infinity 0.729976 -Infinity
12216
92 pt 7.78454 -10.30611 -13.60496 Infinity 0.778663 Infinity
12217
93 pt 9.29334 -12.93519 -13.02335 Infinity 0.704669 Infinity
12218
94 pt 14.57352 -7.01191 -9.89826 -Infinity 0.780257 -Infinity
12219
95 pt 13.92516 -8.75873 -9.58312 Infinity 0.765961 Infinity
12220
96 pt 13.16652 -5.92158 -10.53276 Infinity 0.832274 Infinity
12221
97 pt 14.52071 -14.46191 -8.29747 -Infinity 0.649009 -Infinity
12222
98 pt 14.24145 -13.15411 -6.96227 Infinity 0.690914 Infinity
12223
99 pt 13.17914 -15.78698 -8.17317 Infinity 0.644050 Infinity
12224
100 pt 15.52350 -19.18550 -13.76148 -Infinity 0.521580 -Infinity
12225
101 pt 16.42370 -17.59040 -13.29634 Infinity 0.536658 Infinity
12226
102 pt 14.11818 -18.79000 -14.96136 Infinity 0.529849 Infinity
12227
103 pt 17.80980 -14.69129 -12.22448 -Infinity 0.566397 -Infinity
12228
104 pt 16.67759 -14.52178 -10.72101 Infinity 0.596149 Infinity
12229
105 pt 17.13730 -13.63881 -13.64262 Infinity 0.576617 Infinity
12230
106 pt -17.30091 3.37274 -20.58379 -Infinity 0.622217 -Infinity
12231
107 pt -16.62418 2.25017 -19.22257 Infinity 0.659041 Infinity
12232
108 pt -16.62170 2.81553 -22.25690 Infinity 0.601417 Infinity
12233
109 pt -7.95546 -4.07307 -19.46213 -Infinity 0.752032 -Infinity
12234
110 pt -6.18604 -3.60036 -18.99653 Infinity 0.794195 Infinity
12235
111 pt -9.00309 -4.21658 -17.89595 Infinity 0.784416 Infinity
12236
112 pt -10.24997 -4.43799 -14.87327 -Infinity 0.856402 -Infinity
12237
113 pt -11.59766 -5.53855 -14.13601 Infinity 0.825402 Infinity
12238
114 pt -8.61823 -4.74925 -13.97237 Infinity 0.921775 Infinity
12239
115 pt -12.87219 5.50573 -13.37258 -Infinity 0.913718 -Infinity
12240
116 pt -11.97014 3.85526 -13.55514 Infinity 0.945885 Infinity
12241
117 pt -14.43303 5.26041 -12.33592 Infinity 0.891806 Infinity
12242
118 pt -13.27301 -3.61430 -8.55496 -Infinity 0.977189 -Infinity
12243
119 pt -13.17243 -4.99407 -9.84228 Infinity 0.910821 Infinity
12244
120 pt -11.68927 -2.58476 -8.60851 Infinity 1.084865 Infinity
12245
121 pt -15.46699 0.10534 -17.21924 -Infinity 0.719138 -Infinity
12246
122 pt -14.68215 -0.01147 -15.50418 Infinity 0.780297 Infinity
12247
123 pt -16.81973 -1.20379 -17.38456 Infinity 0.680242 Infinity
12248
124 pt -8.46726 -1.50308 -9.49301 -Infinity 1.269358 -Infinity
12249
125 pt -7.00354 -0.32039 -9.32030 Infinity 1.432869 Infinity
12250
126 pt -7.86071 -3.16486 -10.15756 Infinity 1.188257 Infinity
12251
127 pt -10.80318 2.83238 -18.58697 -Infinity 0.787412 -Infinity
12252
128 pt -12.46319 1.98571 -18.90102 Infinity 0.743913 Infinity
12253
129 pt -10.22102 2.44780 -16.83077 Infinity 0.863273 Infinity
12254
130 pt -18.93771 -4.42330 -13.32449 -Infinity 0.681565 -Infinity
12255
131 pt -20.71118 -4.99156 -13.00365 Infinity 0.642075 Infinity
12256
132 pt -18.12737 -5.56876 -14.59032 Infinity 0.667530 Infinity
12257
133 pt -21.03743 2.75885 -16.81040 -Infinity 0.619385 -Infinity
12258
134 pt -20.11612 3.10195 -18.42426 Infinity 0.611954 Infinity
12259
135 pt -21.15690 0.89290 -16.53649 Infinity 0.618084 Infinity
12260
136 pt -19.60621 -0.61451 -9.83695 -Infinity 0.749418 -Infinity
12261
137 pt -21.45545 -0.39892 -10.16080 Infinity 0.692565 Infinity
12262
138 pt -18.91458 -1.94314 -10.98910 Infinity 0.742346 Infinity
12263
139 pt -19.79801 -2.65695 -19.03410 -Infinity 0.591581 -Infinity
12264
140 pt -18.76455 -3.87746 -20.04077 Infinity 0.585447 Infinity
12265
141 pt -21.29638 -3.54918 -18.30616 Infinity 0.573802 Infinity
12266
142 pt -17.01945 3.90995 -10.52095 -Infinity 0.843919 -Infinity
12267
143 pt -18.20277 5.00404 -11.50776 Infinity 0.779319 Infinity
12268
144 pt -17.85586 2.25866 -10.14053 Infinity 0.818601 Infinity
12269
145 pt -10.73110 0.64356 -13.77880 -Infinity 0.967258 -Infinity
12270
146 pt -10.66490 -1.09407 -14.51863 Infinity 0.916216 Infinity
12271
147 pt -10.09643 0.59633 -11.99946 Infinity 1.080840 Infinity
12272
148 pt -19.96420 6.69707 -13.78258 -Infinity 0.683867 -Infinity
12273
149 pt -21.04510 8.20049 -14.16000 Infinity 0.646780 Infinity
12274
150 pt -20.57727 5.21308 -14.77907 Infinity 0.658272 Infinity
12275
151 pt 4.27645 3.52693 -17.96848 -Infinity 0.909319 -Infinity
12276
152 pt 4.91577 3.51724 -19.74675 Infinity 0.821402 Infinity
12277
153 pt 3.52391 5.21574 -17.57773 Infinity 0.935863 Infinity
12278
154 pt -6.17639 -5.55571 -12.02477 -Infinity 1.041894 -Infinity
12279
155 pt -5.82558 -7.30896 -11.41309 Infinity 1.003487 Infinity
12280
156 pt -4.59381 -4.52705 -11.93320 Infinity 1.128178 Infinity
12281
157 pt -4.11777 1.33636 -9.68471 -Infinity 1.661449 -Infinity
12282
158 pt -3.55474 2.67917 -10.88925 Infinity 1.544988 Infinity
12283
159 pt -4.23005 2.05869 -7.94209 Infinity 2.006988 Infinity
12284
160 pt 3.59836 0.72645 -11.24339 -Infinity 1.402078 -Infinity
12285
161 pt 5.14809 1.53399 -11.96263 Infinity 1.280164 Infinity
12286
162 pt 2.27551 2.04490 -10.95563 Infinity 1.530627 Infinity
12287
163 pt -2.21719 4.79677 -13.03885 -Infinity 1.312994 -Infinity
12288
164 pt -3.42342 6.18760 -13.46507 Infinity 1.228795 Infinity
12289
165 pt -0.66164 5.52897 -12.25448 Infinity 1.404791 Infinity
12290
166 pt 3.82599 -3.32824 -15.07553 -Infinity 0.982777 -Infinity
12291
167 pt 2.42127 -2.87035 -16.25374 Infinity 0.951248 Infinity
12292
168 pt 3.92599 -2.05099 -13.68640 Infinity 1.096846 Infinity
12293
169 pt -0.09189 1.19598 -16.39151 -Infinity 1.028463 -Infinity
12294
170 pt 1.54224 1.93467 -16.98734 Infinity 0.989078 Infinity
12295
171 pt -0.97581 2.43804 -15.27480 Infinity 1.118852 Infinity
12296
172 pt -1.95644 -2.89934 -11.69132 -Infinity 1.271376 -Infinity
12297
173 pt -0.31647 -3.32068 -10.85225 Infinity 1.327284 Infinity
12298
174 pt -2.61633 -1.26773 -11.00324 Infinity 1.415418 Infinity
12299
175 pt 2.61901 -3.73649 -8.93675 -Infinity 1.415067 -Infinity
12300
176 pt 3.02704 -2.04167 -9.66626 Infinity 1.458088 Infinity
12301
177 pt 4.17402 -4.81023 -8.92713 Infinity 1.277127 Infinity
12302
178 pt -3.13455 -2.75176 -17.46251 -Infinity 0.898656 -Infinity
12303
179 pt -2.18430 -1.14367 -17.17596 Infinity 0.946293 Infinity
12304
180 pt -3.14016 -3.77320 -15.87264 Infinity 0.953732 Infinity
12305
181 pt -2.37332 5.77743 -19.79275 -Infinity 0.843801 -Infinity
12306
182 pt -0.86921 6.26142 -18.75617 Infinity 0.893235 Infinity
12307
183 pt -3.65335 7.16637 -19.73413 Infinity 0.830021 Infinity
12308
184 pt 17.61826 2.77546 -20.84224 -Infinity 0.595778 -Infinity
12309
185 pt 17.37527 1.75654 -19.26940 Infinity 0.624919 Infinity
12310
186 pt 18.63192 1.78021 -22.08845 Infinity 0.561251 Infinity
12311
187 pt 8.87646 -4.30942 -16.48299 -Infinity 0.809709 -Infinity
12312
188 pt 9.17520 -6.03989 -17.18106 Infinity 0.755297 Infinity
12313
189 pt 7.02398 -4.04755 -16.21691 Infinity 0.859053 Infinity
12314
190 pt 18.69806 -5.45645 -12.56866 -Infinity 0.661406 -Infinity
12315
191 pt 18.43452 -5.72212 -14.42097 Infinity 0.639399 Infinity
12316
192 pt 17.29827 -6.28515 -11.60695 Infinity 0.696261 Infinity
12317
193 pt 6.85501 -6.63346 -9.49675 -Infinity 1.048828 -Infinity
12318
194 pt 8.36015 -5.61880 -10.02218 Infinity 1.019345 Infinity
12319
195 pt 6.14763 -7.53679 -10.99830 Infinity 0.974319 Infinity
12320
196 pt 7.28605 3.21663 -13.81088 -Infinity 1.068960 -Infinity
12321
197 pt 7.94022 4.98918 -13.77608 Infinity 1.043527 Infinity
12322
198 pt 6.28509 2.94439 -15.39044 Infinity 1.006488 Infinity
12323
199 pt 18.09291 -0.64842 -10.51917 -Infinity 0.750691 -Infinity
12324
200 pt 16.96803 0.45209 -11.56540 Infinity 0.774973 Infinity
12325
201 pt 18.10763 -2.39727 -11.23497 Infinity 0.724853 Infinity
12326
202 pt 16.49241 -0.69586 -17.13455 -Infinity 0.671957 -Infinity
12327
203 pt 14.82800 -0.98990 -17.97973 Infinity 0.686138 Infinity
12328
204 pt 17.49222 -2.29943 -17.13486 Infinity 0.643305 Infinity
12329
205 pt 18.34757 3.21853 -7.00221 -Infinity 0.809598 -Infinity
12330
206 pt 18.15794 1.76321 -8.19265 Infinity 0.797331 Infinity
12331
207 pt 17.55068 4.75766 -7.75527 Infinity 0.830089 Infinity
12332
208 pt 14.37974 -6.41972 -20.43671 -Infinity 0.604915 -Infinity
12333
209 pt 13.11041 -7.60422 -19.69050 Infinity 0.622626 Infinity
12334
210 pt 13.63115 -4.68903 -20.56068 Infinity 0.627198 Infinity
12335
211 pt 18.69241 -5.53020 -17.80981 -Infinity 0.590371 -Infinity
12336
212 pt 19.60331 -7.17959 -17.66543 Infinity 0.566191 Infinity
12337
213 pt 17.14994 -5.75272 -18.87862 Infinity 0.596795 Infinity
12338
214 pt 15.32870 2.62861 -13.27353 -Infinity 0.798875 -Infinity
12339
215 pt 15.60764 4.48032 -13.52732 Infinity 0.784700 Infinity
12340
216 pt 15.75373 1.70255 -14.86501 Infinity 0.746695 Infinity
12341
217 pt 12.13375 -1.76042 -19.54097 -Infinity 0.693976 -Infinity
12342
218 pt 11.31596 -0.49591 -20.68259 Infinity 0.686679 Infinity
12343
219 pt 10.83336 -2.50462 -18.38934 Infinity 0.739746 Infinity
12344
220 pt 10.79348 -4.03850 -11.69169 -Infinity 0.922124 -Infinity
12345
221 pt 10.24393 -4.17550 -13.49455 Infinity 0.877227 Infinity
12346
222 pt 10.91581 -2.21633 -11.20609 Infinity 0.975862 Infinity
12347
223 pt 10.94454 1.05124 -10.90195 -Infinity 1.043383 -Infinity
12348
224 pt 12.62008 1.70128 -11.48599 Infinity 0.947687 Infinity
12349
225 pt 9.57066 1.81774 -11.94884 Infinity 1.069239 Infinity
12350
226 pt -20.51212 13.56484 -11.32196 -Infinity 0.651638 -Infinity
12351
227 pt -21.63187 15.03296 -10.91964 Infinity 0.617102 Infinity
12352
228 pt -21.18441 12.65469 -12.83547 Infinity 0.629484 Infinity
12353
229 pt -10.46524 8.63279 -8.09919 -Infinity 1.215516 -Infinity
12354
230 pt -11.63954 7.17420 -7.84504 Infinity 1.188191 Infinity
12355
231 pt -11.46416 10.18184 -8.51590 Infinity 1.083000 Infinity
12356
232 pt -8.15588 14.57243 -12.86742 -Infinity 0.896661 -Infinity
12357
233 pt -9.14653 13.06963 -13.44296 Infinity 0.897867 Infinity
12358
234 pt -7.96231 14.51861 -10.98840 Infinity 0.967296 Infinity
12359
235 pt -17.59378 8.01630 -18.38067 -Infinity 0.648038 -Infinity
12360
236 pt -17.41510 6.38181 -19.31211 Infinity 0.640086 Infinity
12361
237 pt -18.07827 7.67071 -16.58709 Infinity 0.673516 Infinity
12362
238 pt -10.47256 10.04329 -14.53196 -Infinity 0.891907 -Infinity
12363
239 pt -11.28526 8.48431 -13.83901 Infinity 0.919895 Infinity
12364
240 pt -11.58697 10.79990 -15.85737 Infinity 0.807189 Infinity
12365
241 pt -15.75699 15.93880 -12.14328 -Infinity 0.710748 -Infinity
12366
242 pt -17.40104 15.04925 -11.86603 Infinity 0.693670 Infinity
12367
243 pt -15.74132 17.55525 -11.16456 Infinity 0.696165 Infinity
12368
244 pt -7.46751 19.13551 -14.92645 -Infinity 0.728697 -Infinity
12369
245 pt -7.66246 17.40035 -14.20376 Infinity 0.785900 Infinity
12370
246 pt -8.55465 20.34543 -13.96454 Infinity 0.707291 Infinity
12371
247 pt -10.53624 7.73402 -20.48594 -Infinity 0.719580 -Infinity
12372
248 pt -10.80886 6.05830 -19.65606 Infinity 0.748252 Infinity
12373
249 pt -11.67099 9.02174 -19.69524 Infinity 0.715166 Infinity
12374
250 pt -14.36925 17.86718 -17.06409 -Infinity 0.627037 -Infinity
12375
251 pt -14.75109 17.00462 -15.42663 Infinity 0.659708 Infinity
12376
252 pt -14.51662 19.73791 -16.84116 Infinity 0.602568 Infinity
12377
253 pt -12.66499 13.32471 -8.67150 -Infinity 0.924019 -Infinity
12378
254 pt -13.65322 14.07266 -10.09804 Infinity 0.839143 Infinity
12379
255 pt -13.49630 13.76044 -7.03134 Infinity 0.913072 Infinity
12380
256 pt -13.67826 11.26792 -18.59651 -Infinity 0.689283 -Infinity
12381
257 pt -14.24622 12.83372 -19.48912 Infinity 0.646414 Infinity
12382
258 pt -15.15897 10.12670 -18.32048 Infinity 0.679836 Infinity
12383
259 pt -9.55337 17.21484 -19.29745 -Infinity 0.653484 -Infinity
12384
260 pt -11.34682 17.11208 -18.71090 Infinity 0.647207 Infinity
12385
261 pt -8.50756 18.07801 -17.98128 Infinity 0.676269 Infinity
12386
262 pt -16.11528 15.20522 -21.27372 -Infinity 0.570809 -Infinity
12387
263 pt -15.75162 16.40769 -19.86202 Infinity 0.584671 Infinity
12388
264 pt -16.14014 16.14542 -22.91276 Infinity 0.539934 Infinity
12389
265 pt -15.56830 20.36334 -9.39387 -Infinity 0.666160 -Infinity
12390
266 pt -16.07070 22.00869 -10.17584 Infinity 0.621043 Infinity
12391
267 pt -16.21940 20.28211 -7.62171 Infinity 0.671472 Infinity
12392
268 pt -5.83197 9.47565 -18.95145 -Infinity 0.817563 -Infinity
12393
269 pt -7.58201 8.93918 -19.42118 Infinity 0.784926 Infinity
12394
270 pt -5.66627 9.50966 -17.06931 Infinity 0.897341 Infinity
12395
271 pt 3.38443 18.20482 -19.47593 -Infinity 0.671808 -Infinity
12396
272 pt 1.56554 18.01042 -19.95017 Infinity 0.671028 Infinity
12397
273 pt 4.34354 16.66656 -20.00973 Infinity 0.680394 Infinity
12398
274 pt -5.40749 14.21745 -21.14231 -Infinity 0.688572 -Infinity
12399
275 pt -5.41256 12.47926 -20.40087 Infinity 0.732646 Infinity
12400
276 pt -6.94636 15.15245 -20.56896 Infinity 0.678958 Infinity
12401
277 pt 1.81481 7.96250 -17.37457 -Infinity 0.938079 -Infinity
12402
278 pt 1.91184 9.15839 -15.91460 Infinity 0.996960 Infinity
12403
279 pt 2.11320 8.90640 -18.98425 Infinity 0.847344 Infinity
12404
280 pt -2.39331 19.06226 -15.80485 -Infinity 0.745979 -Infinity
12405
281 pt -4.25567 19.13873 -15.49363 Infinity 0.742879 Infinity
12406
282 pt -2.07353 18.64940 -17.62098 Infinity 0.713320 Infinity
12407
283 pt -1.68240 19.08771 -8.26699 -Infinity 0.933903 -Infinity
12408
284 pt -3.51002 19.43635 -7.93634 Infinity 0.912270 Infinity
12409
285 pt -0.81899 18.65373 -6.64304 Infinity 0.995692 Infinity
12410
286 pt 0.52001 16.42954 -12.34773 -Infinity 0.934807 -Infinity
12411
287 pt -0.15324 16.97691 -10.66899 Infinity 0.971190 Infinity
12412
288 pt -0.61747 17.05879 -13.71933 Infinity 0.865959 Infinity
12413
289 pt 1.98065 6.69707 -10.83120 -Infinity 1.515942 -Infinity
12414
290 pt 2.12081 8.35915 -11.71942 Infinity 1.337341 Infinity
12415
291 pt 3.13420 6.68228 -9.33448 Infinity 1.678343 Infinity
12416
292 pt -3.42665 11.77689 -8.96840 -Infinity 1.359554 -Infinity
12417
293 pt -1.84663 12.20825 -8.02578 Infinity 1.431718 Infinity
12418
294 pt -4.79607 12.98905 -8.49258 Infinity 1.255451 Infinity
12419
295 pt -1.69236 17.86562 -20.75921 -Infinity 0.657141 -Infinity
12420
296 pt -2.77242 16.31591 -20.70484 Infinity 0.680602 Infinity
12421
297 pt -2.14215 18.89517 -22.27867 Infinity 0.610601 Infinity
12422
298 pt 2.49165 11.35975 -13.31676 -Infinity 1.080667 -Infinity
12423
299 pt 4.29091 11.88128 -13.56520 Infinity 1.017047 Infinity
12424
300 pt 1.45563 12.86985 -12.85058 Infinity 1.058163 Infinity
12425
301 pt 4.15251 19.68005 -14.52757 -Infinity 0.745113 -Infinity
12426
302 pt 4.10420 19.22717 -16.36159 Infinity 0.716188 Infinity
12427
303 pt 3.17466 18.40251 -13.53623 Infinity 0.812417 Infinity
12428
304 pt -5.34370 9.06368 -13.58434 -Infinity 1.103225 -Infinity
12429
305 pt -4.56432 10.12324 -12.22752 Infinity 1.179270 Infinity
12430
306 pt -7.21176 9.34763 -13.61180 Infinity 1.042535 Infinity
12431
307 pt 5.51930 12.74781 -7.79954 -Infinity 1.249127 -Infinity
12432
308 pt 6.84928 11.60319 -8.50102 Infinity 1.220008 Infinity
12433
309 pt 6.04121 14.54719 -8.04638 Infinity 1.103446 Infinity
12434
310 pt 7.55438 17.69532 -8.34983 -Infinity 0.900708 -Infinity
12435
311 pt 8.93143 16.86304 -7.35882 Infinity 0.918977 Infinity
12436
312 pt 8.25728 18.35603 -9.97478 Infinity 0.828681 Infinity
12437
313 pt 12.51246 8.26333 -17.98031 -Infinity 0.732374 -Infinity
12438
314 pt 12.76224 7.06121 -19.41684 Infinity 0.698266 Infinity
12439
315 pt 12.89611 10.02208 -18.55536 Infinity 0.697283 Infinity
12440
316 pt 15.15887 14.50933 -15.18404 -Infinity 0.674499 -Infinity
12441
317 pt 14.53032 13.69580 -16.76964 Infinity 0.667922 Infinity
12442
318 pt 16.96790 15.00878 -15.40545 Infinity 0.632411 Infinity
12443
319 pt 11.69219 13.42591 -11.37755 -Infinity 0.854868 -Infinity
12444
320 pt 13.10796 13.80736 -12.56967 Infinity 0.780167 Infinity
12445
321 pt 12.02058 14.26792 -9.71796 Infinity 0.862685 Infinity
12446
322 pt 19.34259 17.78521 -10.15277 -Infinity 0.615278 -Infinity
12447
323 pt 20.00734 18.81380 -11.59193 Infinity 0.579755 Infinity
12448
324 pt 17.61213 18.38886 -9.69215 Infinity 0.642674 Infinity
12449
325 pt 14.81930 20.47549 -9.64200 -Infinity 0.657756 -Infinity
12450
326 pt 12.98042 20.09697 -9.42679 Infinity 0.699965 Infinity
12451
327 pt 15.06827 21.53925 -11.18392 Infinity 0.620275 Infinity
12452
328 pt 14.98961 21.15041 -20.51339 -Infinity 0.525907 -Infinity
12453
329 pt 16.21386 22.53867 -20.89415 Infinity 0.498390 Infinity
12454
330 pt 13.51704 21.26689 -21.69197 Infinity 0.523654 Infinity
12455
331 pt 13.89714 12.83430 -19.90002 -Infinity 0.628989 -Infinity
12456
332 pt 15.54440 12.73368 -20.82060 Infinity 0.591788 Infinity
12457
333 pt 12.66681 13.84587 -20.91691 Infinity 0.617102 Infinity
12458
334 pt 19.90037 11.17115 -7.02000 -Infinity 0.710081 -Infinity
12459
335 pt 21.11674 11.41618 -8.44530 Infinity 0.663345 Infinity
12460
336 pt 19.66651 12.80625 -6.10195 Infinity 0.704774 Infinity
12461
337 pt 15.86267 7.87111 -13.98275 -Infinity 0.752161 -Infinity
12462
338 pt 14.54443 7.97839 -15.33248 Infinity 0.755206 Infinity
12463
339 pt 17.31747 8.99070 -14.43125 Infinity 0.698458 Infinity
12464
340 pt 16.39513 7.65080 -8.74054 -Infinity 0.843476 -Infinity
12465
341 pt 16.02359 7.79590 -10.58769 Infinity 0.820185 Infinity
12466
342 pt 17.57346 9.03467 -8.22335 Infinity 0.793761 Infinity
12467
343 pt 7.35601 12.96714 -14.14004 -Infinity 0.894694 -Infinity
12468
344 pt 7.55477 14.02922 -15.69038 Infinity 0.813271 Infinity
12469
345 pt 8.83938 13.23168 -12.99956 Infinity 0.892276 Infinity
12470
346 pt 9.16168 19.75381 -12.73454 -Infinity 0.723112 -Infinity
12471
347 pt 10.48556 19.52286 -14.06310 Infinity 0.687083 Infinity
12472
348 pt 7.45230 19.75248 -13.54021 Infinity 0.731002 Infinity
12473
349 pt 19.08923 7.72276 -19.74193 -Infinity 0.584277 -Infinity
12474
350 pt 19.73364 8.29806 -21.42266 Infinity 0.549986 Infinity
12475
351 pt 18.67399 5.88097 -19.82216 Infinity 0.594115 Infinity
12476
352 pt 19.79475 20.54212 -14.54932 -Infinity 0.539438 -Infinity
12477
353 pt 20.98724 21.54737 -15.61633 Infinity 0.507324 Infinity
12478
354 pt 18.17456 21.49338 -14.34642 Infinity 0.550652 Infinity
12479
355 pt 8.64408 15.94060 -18.12350 -Infinity 0.697319 -Infinity
12480
356 pt 9.97513 17.12260 -17.48928 Infinity 0.675061 Infinity
12481
357 pt 8.94242 15.57806 -19.95397 Infinity 0.659184 Infinity
12482
358 pt 8.82611 8.03357 -14.40711 -Infinity 0.948674 -Infinity
12483
359 pt 8.04665 9.75464 -14.44485 Infinity 0.940242 Infinity
12484
360 pt 10.17942 7.92486 -15.72157 Infinity 0.858302 Infinity
12485
361 pt 9.29233 9.05850 -9.37458 -Infinity 1.150290 -Infinity
12486
362 pt 10.64753 10.37474 -9.41941 Infinity 1.035888 Infinity
12487
363 pt 9.11065 8.28137 -11.08751 Infinity 1.093940 Infinity
12488
364 pt 12.59671 18.81049 -16.48611 -Infinity 0.632509 -Infinity
12489
365 pt 13.51648 19.77202 -17.82796 Infinity 0.588864 Infinity
12490
366 pt 13.68254 17.39199 -15.86973 Infinity 0.647993 Infinity
12491
367 pt 19.85644 15.93879 -16.90108 -Infinity 0.559863 -Infinity
12492
368 pt 19.89666 16.39186 -18.73525 Infinity 0.535915 Infinity
12493
369 pt 20.11654 17.49490 -15.86093 Infinity 0.553307 Infinity
12494
370 pt 20.01768 10.81344 -15.74680 -Infinity 0.609923 -Infinity
12495
371 pt 19.77105 9.70772 -17.25928 Infinity 0.600326 Infinity
12496
372 pt 20.13914 12.61722 -16.29697 Infinity 0.588656 Infinity
12497
373 pt -10.99976 -18.26672 -1.58815 -Infinity 0.660350 -Infinity
12498
374 pt -12.19116 -16.96506 -0.91190 Infinity 0.677616 Infinity
12499
375 pt -9.67840 -17.42451 -2.64444 Infinity 0.696657 Infinity
12500
376 pt -17.07083 -16.08789 3.90699 -Infinity 0.611924 -Infinity
12501
377 pt -15.88624 -15.62047 2.51080 Infinity 0.644749 Infinity
12502
378 pt -17.82565 -14.52064 4.64524 Infinity 0.623932 Infinity
12503
379 pt -7.64994 -15.34516 -4.31902 -Infinity 0.780904 -Infinity
12504
380 pt -5.84106 -15.10074 -3.82985 Infinity 0.814770 Infinity
12505
381 pt -8.56352 -13.69504 -4.20269 Infinity 0.828830 Infinity
12506
382 pt -18.71629 -16.46952 -4.51882 -Infinity 0.586995 -Infinity
12507
383 pt -19.33044 -15.17993 -3.28155 Infinity 0.601185 Infinity
12508
384 pt -19.81720 -16.44497 -6.05454 Infinity 0.567060 Infinity
12509
385 pt -9.86958 -10.73163 -3.77467 -Infinity 0.926359 -Infinity
12510
386 pt -8.61631 -10.35948 -2.41016 Infinity 0.991097 Infinity
12511
387 pt -11.58602 -10.16104 -3.22758 Infinity 0.902790 Infinity
12512
388 pt -10.02703 -11.78005 3.35271 -Infinity 0.861741 -Infinity
12513
389 pt -8.56521 -11.65389 2.16182 Infinity 0.914006 Infinity
12514
390 pt -10.23786 -10.14071 4.26879 Infinity 0.909072 Infinity
12515
391 pt -13.61008 -14.11735 0.31862 -Infinity 0.726635 -Infinity
12516
392 pt -12.36112 -13.30665 1.48220 Infinity 0.771236 Infinity
12517
393 pt -14.28235 -12.82487 -0.88497 Infinity 0.748798 Infinity
12518
394 pt -18.89252 -11.57912 5.90748 -Infinity 0.646022 -Infinity
12519
395 pt -17.49420 -10.44901 6.48938 Infinity 0.688818 Infinity
12520
396 pt -19.96402 -10.66109 4.65043 Infinity 0.647477 Infinity
12521
397 pt -17.70216 -20.26342 6.80329 -Infinity 0.526227 -Infinity
12522
398 pt -18.03037 -19.64992 8.56026 Infinity 0.522507 Infinity
12523
399 pt -17.52634 -18.78390 5.64089 Infinity 0.554393 Infinity
12524
400 pt -16.47243 -7.48575 1.83750 -Infinity 0.818364 -Infinity
12525
401 pt -15.80438 -7.69943 3.59224 Infinity 0.821147 Infinity
12526
402 pt -18.32419 -7.86212 1.81718 Infinity 0.751762 Infinity
12527
403 pt -10.83509 -16.28219 6.09083 -Infinity 0.681189 -Infinity
12528
404 pt -10.06553 -17.55493 4.92507 Infinity 0.668072 Infinity
12529
405 pt -10.60373 -14.54903 5.37412 Infinity 0.737123 Infinity
12530
406 pt -14.75564 -9.61332 -2.50364 -Infinity 0.824938 -Infinity
12531
407 pt -15.44173 -8.47211 -3.84453 Infinity 0.828652 Infinity
12532
408 pt -15.26895 -8.96858 -0.80308 Infinity 0.829292 Infinity
12533
409 pt -15.26510 -7.85028 6.85547 -Infinity 0.791704 -Infinity
12534
410 pt -13.44175 -7.38506 6.68223 Infinity 0.861324 Infinity
12535
411 pt -16.24580 -6.34822 7.44969 Infinity 0.784635 Infinity
12536
412 pt -9.15441 -20.04402 2.90455 -Infinity 0.628147 -Infinity
12537
413 pt -9.72708 -21.82638 3.16201 Infinity 0.584772 Infinity
12538
414 pt -9.67215 -19.45717 1.18449 Infinity 0.642723 Infinity
12539
415 pt 4.74259 -10.87172 2.62636 -Infinity 1.005543 -Infinity
12540
416 pt 5.45486 -12.53617 3.16795 Infinity 0.899343 Infinity
12541
417 pt 5.78504 -9.47291 3.35279 Infinity 1.049030 Infinity
12542
418 pt 1.39283 -12.03771 -5.60170 -Infinity 0.972258 -Infinity
12543
419 pt 1.90545 -13.30981 -6.90172 Infinity 0.883375 Infinity
12544
420 pt 2.79706 -11.80478 -4.35875 Infinity 0.989443 Infinity
12545
421 pt -5.13490 -20.95881 6.01156 -Infinity 0.615821 -Infinity
12546
422 pt -4.30842 -22.59383 5.54820 Infinity 0.586193 Infinity
12547
423 pt -6.38209 -20.48112 4.67462 Infinity 0.628832 Infinity
12548
424 pt 0.80652 -14.65012 6.66279 -Infinity 0.803823 -Infinity
12549
425 pt 1.28653 -15.88758 5.31767 Infinity 0.775593 Infinity
12550
426 pt 0.34537 -12.99967 5.86628 Infinity 0.886339 Infinity
12551
427 pt 2.05845 -18.14120 3.17918 -Infinity 0.715989 -Infinity
12552
428 pt 2.05714 -19.83688 4.01329 Infinity 0.662219 Infinity
12553
429 pt 0.99256 -18.20418 1.62002 Infinity 0.725205 Infinity
12554
430 pt 5.51210 -11.81957 -2.46074 -Infinity 0.958226 -Infinity
12555
431 pt 5.14302 -11.37461 -0.66161 Infinity 0.994017 Infinity
12556
432 pt 6.27712 -13.54571 -2.53961 Infinity 0.861230 Infinity
12557
433 pt 3.41914 -19.86918 -3.86378 -Infinity 0.666338 -Infinity
12558
434 pt 3.58603 -20.32871 -5.68917 Infinity 0.646082 Infinity
12559
435 pt 3.85302 -21.36548 -2.79424 Infinity 0.628603 Infinity
12560
436 pt 6.55190 -15.50131 3.81206 -Infinity 0.761629 -Infinity
12561
437 pt 7.58633 -16.40608 5.10913 Infinity 0.710717 Infinity
12562
438 pt 5.02948 -16.53620 3.38509 Infinity 0.747163 Infinity
12563
439 pt -0.79121 -18.45813 -1.21444 -Infinity 0.724177 -Infinity
12564
440 pt 0.69391 -18.89521 -2.29814 Infinity 0.707876 Infinity
12565
441 pt -2.03095 -19.88416 -1.23801 Infinity 0.679128 Infinity
12566
442 pt -2.83510 -13.97797 -2.79863 -Infinity 0.897057 -Infinity
12567
443 pt -1.49241 -13.11310 -3.80870 Infinity 0.941185 Infinity
12568
444 pt -2.12831 -15.55072 -2.02533 Infinity 0.830333 Infinity
12569
445 pt -0.17211 -10.23512 4.23726 -Infinity 1.076314 -Infinity
12570
446 pt 1.57480 -10.29570 3.51914 Infinity 1.077943 Infinity
12571
447 pt -1.26926 -9.15871 3.13785 Infinity 1.186128 Infinity
12572
448 pt -6.12880 -10.84941 -0.06946 -Infinity 1.031745 -Infinity
12573
449 pt -4.94120 -12.04282 -0.92762 Infinity 0.984528 Infinity
12574
450 pt -5.18633 -9.30527 0.47684 Infinity 1.160521 Infinity
12575
451 pt 7.76588 -7.18950 4.61041 -Infinity 1.079909 -Infinity
12576
452 pt 9.38296 -7.68425 3.76699 Infinity 1.009868 Infinity
12577
453 pt 8.12033 -6.64739 6.38567 Infinity 1.038763 Infinity
12578
454 pt 17.83889 -21.01194 -0.73844 -Infinity 0.520122 -Infinity
12579
455 pt 16.80783 -21.52339 0.76036 Infinity 0.522371 Infinity
12580
456 pt 17.74482 -19.13750 -0.95903 Infinity 0.547546 Infinity
12581
457 pt 10.07091 -19.79998 0.44173 -Infinity 0.620401 -Infinity
12582
458 pt 8.83641 -20.63467 1.60379 Infinity 0.611329 Infinity
12583
459 pt 11.72870 -19.59365 1.32503 Infinity 0.606100 Infinity
12584
460 pt 17.98756 -20.08073 -6.03317 -Infinity 0.524279 -Infinity
12585
461 pt 16.66584 -20.87587 -7.12490 Infinity 0.523381 Infinity
12586
462 pt 17.82063 -20.72971 -4.26625 Infinity 0.521318 Infinity
12587
463 pt 16.77541 -16.03418 -1.64681 -Infinity 0.609985 -Infinity
12588
464 pt 16.47149 -16.29731 -3.49328 Infinity 0.607522 Infinity
12589
465 pt 15.31656 -15.09787 -0.89439 Infinity 0.651339 Infinity
12590
466 pt 21.35337 -8.75201 2.25168 -Infinity 0.630586 -Infinity
12591
467 pt 20.93489 -10.03360 0.92750 Infinity 0.626512 Infinity
12592
468 pt 20.19563 -7.26814 2.08183 Infinity 0.676911 Infinity
12593
469 pt 20.71890 -12.57717 -1.40572 -Infinity 0.598201 -Infinity
12594
470 pt 19.86509 -11.24472 -2.43850 Infinity 0.632387 Infinity
12595
471 pt 19.53435 -14.02547 -1.14050 Infinity 0.598127 Infinity
12596
472 pt 8.75085 -8.62872 -5.08564 -Infinity 1.003212 -Infinity
12597
473 pt 7.48727 -9.63929 -4.10932 Infinity 1.008987 Infinity
12598
474 pt 7.93409 -7.92862 -6.63929 Infinity 1.036852 Infinity
12599
475 pt 13.08369 -11.32582 -4.44237 -Infinity 0.778865 -Infinity
12600
476 pt 11.55387 -10.28218 -4.81860 Infinity 0.848821 Infinity
12601
477 pt 12.89102 -12.13985 -2.74789 Infinity 0.768682 Infinity
12602
478 pt 12.69859 -8.82520 2.88448 -Infinity 0.858939 -Infinity
12603
479 pt 13.18547 -8.66096 4.70301 Infinity 0.827769 Infinity
12604
480 pt 13.06555 -7.20473 1.98423 Infinity 0.904971 Infinity
12605
481 pt 7.36721 -16.67961 -2.84939 -Infinity 0.730620 -Infinity
12606
482 pt 5.80780 -17.68138 -3.21786 Infinity 0.715303 Infinity
12607
483 pt 8.43284 -17.60927 -1.59591 Infinity 0.692863 Infinity
12608
484 pt 17.75984 -9.22630 -3.76180 -Infinity 0.709835 -Infinity
12609
485 pt 16.06501 -10.02631 -4.00392 Infinity 0.736644 Infinity
12610
486 pt 17.67783 -7.40820 -4.27057 Infinity 0.742452 Infinity
12611
487 pt 10.41893 -17.56461 -7.19964 -Infinity 0.648682 -Infinity
12612
488 pt 11.16533 -19.14737 -6.48631 Infinity 0.610615 Infinity
12613
489 pt 9.21863 -16.81335 -5.94825 Infinity 0.689510 Infinity
12614
490 pt 14.38783 -19.25402 3.15847 -Infinity 0.578256 -Infinity
12615
491 pt 15.53902 -17.75700 3.08969 Infinity 0.590409 Infinity
12616
492 pt 14.13488 -19.77329 4.95776 Infinity 0.565494 Infinity
12617
493 pt 12.70394 -13.36257 0.30636 -Infinity 0.740103 -Infinity
12618
494 pt 11.22989 -14.37821 0.91193 Infinity 0.739493 Infinity
12619
495 pt 12.80414 -11.74983 1.28620 Infinity 0.779442 Infinity
12620
496 pt -21.21177 -2.74351 -5.23845 -Infinity 0.728830 -Infinity
12621
497 pt -20.62476 -1.83660 -6.78894 Infinity 0.743704 Infinity
12622
498 pt -22.97511 -3.36933 -5.50311 Infinity 0.671029 Infinity
12623
499 pt -9.82237 2.07311 -3.93727 -Infinity 1.648102 -Infinity
12624
500 pt -11.01959 2.75677 -5.22969 Infinity 1.426794 Infinity
12625
501 pt -8.05345 2.54883 -4.40169 Infinity 1.960459 Infinity
12626
502 pt -7.84172 2.66254 6.20741 -Infinity 1.551360 -Infinity
12627
503 pt -6.93557 2.18115 4.62052 Infinity 1.858469 Infinity
12628
504 pt -9.69657 2.77738 5.86477 Infinity 1.396088 Infinity
12629
505 pt -15.02455 -3.39123 -0.90351 -Infinity 1.000985 -Infinity
12630
506 pt -15.72489 -4.71163 0.25284 Infinity 0.926465 Infinity
12631
507 pt -15.44506 -3.83182 -2.69239 Infinity 0.961537 Infinity
12632
508 pt -15.66201 5.16400 -2.15398 -Infinity 1.054368 -Infinity
12633
509 pt -17.37758 4.68696 -2.78668 Infinity 0.947005 Infinity
12634
510 pt -14.89414 3.69606 -1.24480 Infinity 1.121100 Infinity
12635
511 pt -13.07786 1.29957 0.05321 -Infinity 1.261669 -Infinity
12636
512 pt -11.72323 1.54477 -1.24136 Infinity 1.423224 Infinity
12637
513 pt -13.91130 -0.37508 -0.21508 Infinity 1.154139 Infinity
12638
514 pt -13.04264 2.70866 5.09844 -Infinity 1.150955 -Infinity
12639
515 pt -13.00606 2.23875 3.26844 Infinity 1.213933 Infinity
12640
516 pt -14.21246 1.54884 6.02441 Infinity 1.034040 Infinity
12641
517 pt -20.06184 3.36761 -3.83543 -Infinity 0.814012 -Infinity
12642
518 pt -21.27056 3.45177 -5.28559 Infinity 0.758334 Infinity
12643
519 pt -20.58931 1.99070 -2.65350 Infinity 0.795686 Infinity
12644
520 pt -10.48387 -4.41559 1.33638 -Infinity 1.241281 -Infinity
12645
521 pt -12.10646 -4.03132 0.44721 Infinity 1.156871 Infinity
12646
522 pt -9.03437 -3.76456 0.31356 Infinity 1.427889 Infinity
12647
523 pt -13.47419 4.66649 -6.82695 -Infinity 1.131333 -Infinity
12648
524 pt -14.38481 4.95985 -5.19729 Infinity 1.107331 Infinity
12649
525 pt -14.72486 4.26204 -8.18463 Infinity 1.010533 Infinity
12650
526 pt -16.69779 -5.62431 -5.35649 -Infinity 0.841321 -Infinity
12651
527 pt -18.39319 -4.79023 -5.38777 Infinity 0.795229 Infinity
12652
528 pt -15.56953 -4.80834 -6.63409 Infinity 0.887669 Infinity
12653
529 pt -10.19211 -6.99024 5.65677 -Infinity 1.014426 -Infinity
12654
530 pt -10.38533 -6.03808 4.03593 Infinity 1.094491 Infinity
12655
531 pt -8.51457 -6.58843 6.42844 Infinity 1.073131 Infinity
12656
532 pt 5.52738 2.65015 -4.06068 -Infinity 2.354891 -Infinity
12657
533 pt 6.35176 3.17833 -2.44436 Infinity 2.303538 Infinity
12658
534 pt 5.39333 4.13913 -5.21655 Infinity 2.230342 Infinity
12659
535 pt -1.60005 -3.19208 4.38460 -Infinity 1.816028 -Infinity
12660
536 pt -1.72756 -1.30797 4.45486 Infinity 2.126693 Infinity
12661
537 pt 0.21918 -3.69940 4.32061 Infinity 1.743740 Infinity
12662
538 pt -4.89818 3.24662 -4.94570 -Infinity 2.767395 -Infinity
12663
539 pt -5.04743 5.07094 -5.41544 Infinity 2.483953 Infinity
12664
540 pt -3.65257 3.05762 -3.53723 Infinity 4.120413 Infinity
12665
541 pt 0.58719 1.91585 5.69950 -Infinity 2.237386 -Infinity
12666
542 pt 0.32006 3.74586 6.08778 Infinity 2.194010 Infinity
12667
543 pt 2.28292 1.68169 4.89902 Infinity 2.306786 Infinity
12668
544 pt -3.04632 -6.84229 1.07758 -Infinity 1.460597 -Infinity
12669
545 pt -2.80690 -6.13151 -0.65694 Infinity 1.599114 Infinity
12670
546 pt -2.69084 -5.50326 2.36277 Infinity 1.604914 Infinity
12671
547 pt -7.05565 -2.18749 -1.77844 -Infinity 1.862850 -Infinity
12672
548 pt -7.91465 -1.08963 -3.05434 Infinity 1.817236 Infinity
12673
549 pt -5.46263 -2.88571 -2.51725 Infinity 1.961404 Infinity
12674
550 pt -2.43542 -4.22656 -3.42351 -Infinity 1.903380 -Infinity
12675
551 pt -2.14850 -5.47045 -4.81687 Infinity 1.603007 Infinity
12676
552 pt -1.03099 -2.96230 -3.40723 Infinity 2.267586 Infinity
12677
553 pt -5.62530 6.77308 1.45769 -Infinity 2.445361 -Infinity
12678
554 pt -6.71580 7.49061 0.09130 Infinity 2.158398 Infinity
12679
555 pt -5.83183 4.89537 1.50909 Infinity 2.683005 Infinity
12680
556 pt -5.66806 1.48066 1.69980 -Infinity 2.661906 -Infinity
12681
557 pt -3.99859 1.86199 0.90071 Infinity 3.922815 Infinity
12682
558 pt -6.52073 0.08948 0.74657 Infinity 2.297615 Infinity
12683
559 pt 1.94016 -1.34691 -4.30056 -Infinity 2.431635 -Infinity
12684
560 pt 3.24979 -0.00532 -4.06377 Infinity 2.589055 Infinity
12685
561 pt 2.26635 -2.26864 -5.91768 Infinity 1.939755 Infinity
12686
562 pt 5.34755 1.04921 3.70823 -Infinity 1.999978 -Infinity
12687
563 pt 5.98965 2.14262 2.30707 Infinity 2.152811 Infinity
12688
564 pt 6.65084 0.94150 5.07238 Infinity 1.629319 Infinity
12689
565 pt 3.61036 -3.88119 4.41976 -Infinity 1.561165 -Infinity
12690
566 pt 4.99803 -5.15307 4.25309 Infinity 1.364840 Infinity
12691
567 pt 4.23670 -2.18743 3.86303 Infinity 1.765826 Infinity
12692
568 pt 16.55097 -4.56507 -5.66570 -Infinity 0.820228 -Infinity
12693
569 pt 16.10202 -5.29853 -7.34841 Infinity 0.803545 Infinity
12694
570 pt 14.97082 -4.12485 -4.72741 Infinity 0.902503 Infinity
12695
571 pt 12.32977 3.20161 -0.44966 -Infinity 1.247978 -Infinity
12696
572 pt 12.49385 2.07325 1.05731 Infinity 1.208317 Infinity
12697
573 pt 14.03885 3.51420 -1.19289 Infinity 1.102353 Infinity
12698
574 pt 12.85311 0.36469 3.80632 -Infinity 1.096551 -Infinity
12699
575 pt 11.46513 0.47489 5.08399 Infinity 1.157088 Infinity
12700
576 pt 14.32255 1.40541 4.37967 Infinity 1.003298 Infinity
12701
577 pt 16.39471 3.96916 5.44335 -Infinity 0.883920 -Infinity
12702
578 pt 15.99966 5.80753 5.25526 Infinity 0.899518 Infinity
12703
579 pt 16.08588 3.43703 7.23011 Infinity 0.862711 Infinity
12704
580 pt 21.27508 3.59124 3.64663 -Infinity 0.718155 -Infinity
12705
581 pt 19.48454 3.60089 4.25074 Infinity 0.773797 Infinity
12706
582 pt 21.52872 2.15275 2.44769 Infinity 0.715566 Infinity
12707
583 pt 17.24678 3.47794 -2.06959 -Infinity 0.900749 -Infinity
12708
584 pt 18.23168 2.11593 -1.20590 Infinity 0.851510 Infinity
12709
585 pt 17.41559 3.28798 -3.94215 Infinity 0.882078 Infinity
12710
586 pt 18.49155 -4.12955 2.42115 -Infinity 0.767812 -Infinity
12711
587 pt 16.73926 -4.20485 1.71768 Infinity 0.834577 Infinity
12712
588 pt 18.41252 -4.09155 4.30884 Infinity 0.756436 Infinity
12713
589 pt 7.53357 4.48701 0.40330 -Infinity 1.972229 -Infinity
12714
590 pt 7.59405 6.06609 1.43959 Infinity 1.836270 Infinity
12715
591 pt 9.29020 3.97394 -0.06796 Infinity 1.635697 Infinity
12716
592 pt 20.65249 -0.46880 -0.62064 -Infinity 0.742020 -Infinity
12717
593 pt 21.10071 -1.36664 -2.22191 Infinity 0.720148 Infinity
12718
594 pt 19.94428 -1.70627 0.61959 Infinity 0.754228 Infinity
12719
595 pt 13.52227 -4.06899 1.02423 -Infinity 0.989308 -Infinity
12720
596 pt 13.09220 -2.48997 1.96911 Infinity 1.049699 Infinity
12721
597 pt 12.74060 -4.00810 -0.69517 Infinity 1.043356 Infinity
12722
598 pt 9.09711 -0.64342 -6.27013 -Infinity 1.359425 -Infinity
12723
599 pt 7.84480 0.56109 -5.52719 Infinity 1.602258 Infinity
12724
600 pt 9.85211 0.11296 -7.82864 Infinity 1.241343 Infinity
12725
601 pt 11.56979 -4.32770 -3.74550 -Infinity 1.084056 -Infinity
12726
602 pt 10.70353 -2.87588 -4.58981 Infinity 1.186970 Infinity
12727
603 pt 10.59355 -5.91474 -4.06067 Infinity 1.066275 Infinity
12728
604 pt -14.37489 14.79256 2.86221 -Infinity 0.877010 -Infinity
12729
605 pt -15.47905 14.28179 1.41617 Infinity 0.862850 Infinity
12730
606 pt -15.30356 14.53327 4.48745 Infinity 0.832981 Infinity
12731
607 pt -12.43164 7.91277 5.06406 -Infinity 1.139231 -Infinity
12732
608 pt -12.77931 6.05652 5.13127 Infinity 1.150782 Infinity
12733
609 pt -13.04589 8.61058 3.41882 Infinity 1.127985 Infinity
12734
610 pt -20.46172 8.37994 1.57158 -Infinity 0.775884 -Infinity
12735
611 pt -21.62527 8.42576 0.08325 Infinity 0.739883 Infinity
12736
612 pt -20.40127 6.62563 2.27143 Infinity 0.787307 Infinity
12737
613 pt -10.86252 18.03316 4.58924 -Infinity 0.857169 -Infinity
12738
614 pt -11.65105 19.20654 5.84322 Infinity 0.784164 Infinity
12739
615 pt -12.20393 16.96664 3.79287 Infinity 0.868162 Infinity
12740
616 pt -7.62740 9.69343 5.20697 -Infinity 1.414700 -Infinity
12741
617 pt -9.43537 9.14434 5.23531 Infinity 1.305432 Infinity
12742
618 pt -6.70485 8.75719 3.84924 Infinity 1.687466 Infinity
12743
619 pt -7.64291 14.62146 6.82715 -Infinity 1.041517 -Infinity
12744
620 pt -8.81645 15.74989 5.86771 Infinity 0.981208 Infinity
12745
621 pt -7.64060 12.90156 6.04421 Infinity 1.163337 Infinity
12746
622 pt -20.78294 18.64520 -0.96947 -Infinity 0.634245 -Infinity
12747
623 pt -22.28421 19.79280 -0.95368 Infinity 0.590072 Infinity
12748
624 pt -20.09737 18.47898 0.78365 Infinity 0.649066 Infinity
12749
625 pt -18.03111 12.78641 -0.37097 -Infinity 0.809660 -Infinity
12750
626 pt -18.79750 11.19561 0.30214 Infinity 0.807921 Infinity
12751
627 pt -19.39698 14.04201 -0.73004 Infinity 0.742390 Infinity
12752
628 pt -19.67270 18.34853 4.18052 -Infinity 0.646962 -Infinity
12753
629 pt -19.07920 19.95699 4.97529 Infinity 0.628286 Infinity
12754
630 pt -18.93723 16.87666 5.10988 Infinity 0.680184 Infinity
12755
631 pt -7.81312 14.55524 -7.57306 -Infinity 1.087826 -Infinity
12756
632 pt -7.71575 15.21060 -5.80329 Infinity 1.104169 Infinity
12757
633 pt -9.55636 13.90901 -7.91155 Infinity 1.043049 Infinity
12758
634 pt -12.91455 19.83861 -2.99529 -Infinity 0.779142 -Infinity
12759
635 pt -14.66099 20.20465 -3.61740 Infinity 0.728320 Infinity
12760
636 pt -12.10812 21.44061 -2.40003 Infinity 0.749940 Infinity
12761
637 pt -8.87659 13.43908 0.41735 -Infinity 1.227567 -Infinity
12762
638 pt -10.53233 13.62314 1.30937 Infinity 1.111822 Infinity
12763
639 pt -8.81468 11.76606 -0.45915 Infinity 1.368885 Infinity
12764
640 pt -13.92409 9.28421 0.20929 -Infinity 1.097598 -Infinity
12765
641 pt -15.16855 10.67929 -0.06662 Infinity 0.983370 Infinity
12766
642 pt -14.55155 7.70597 -0.61928 Infinity 1.098352 Infinity
12767
643 pt -8.63770 8.92541 -2.02872 -Infinity 1.640232 -Infinity
12768
644 pt -10.49534 8.60677 -2.16547 Infinity 1.430377 Infinity
12769
645 pt -7.82587 8.65766 -3.71404 Infinity 1.724468 Infinity
12770
646 pt -8.36051 17.33965 -2.88365 -Infinity 1.002561 -Infinity
12771
647 pt -8.42220 15.95092 -1.60353 Infinity 1.087487 Infinity
12772
648 pt -10.04041 18.20164 -2.96090 Infinity 0.911083 Infinity
12773
649 pt -17.64136 21.10222 -4.49208 -Infinity 0.647170 -Infinity
12774
650 pt -17.92011 22.97116 -4.47104 Infinity 0.609245 Infinity
12775
651 pt -18.78689 20.27925 -3.23447 Infinity 0.644440 Infinity
12776
652 pt -14.54627 14.75834 -4.13209 -Infinity 0.880064 -Infinity
12777
653 pt -14.06085 16.47715 -3.51474 Infinity 0.848729 Infinity
12778
654 pt -15.86952 14.03038 -2.99624 Infinity 0.858088 Infinity
12779
655 pt -1.04546 8.94452 2.24418 -Infinity 2.483006 -Infinity
12780
656 pt -2.65252 8.05182 1.80658 Infinity 2.723705 Infinity
12781
657 pt -0.44641 8.36959 3.94173 Infinity 2.277381 Infinity
12782
658 pt 5.16509 13.32438 6.05086 -Infinity 1.201593 -Infinity
12783
659 pt 7.05451 13.29982 6.07488 Infinity 1.126544 Infinity
12784
660 pt 4.50189 12.01579 7.24201 Infinity 1.245003 Infinity
12785
661 pt 1.96912 11.73594 -0.97361 -Infinity 1.882759 -Infinity
12786
662 pt 1.09759 10.57932 0.24036 Infinity 2.188336 Infinity
12787
663 pt 3.83434 11.67275 -0.67691 Infinity 1.753833 Infinity
12788
664 pt 0.76236 12.80547 -5.83944 -Infinity 1.531608 -Infinity
12789
665 pt 1.04280 12.24137 -4.05780 Infinity 1.725445 Infinity
12790
666 pt 2.40940 12.81193 -6.76587 Infinity 1.429374 Infinity
12791
667 pt 0.15045 17.50832 -3.76900 -Infinity 1.126819 -Infinity
12792
668 pt 1.73839 17.89871 -2.82183 Infinity 1.097001 Infinity
12793
669 pt 0.21619 15.73010 -4.40513 Infinity 1.268196 Infinity
12794
670 pt -3.54351 13.76947 1.45807 -Infinity 1.456697 -Infinity
12795
671 pt -2.76163 12.05159 1.55087 Infinity 1.734603 Infinity
12796
672 pt -5.38997 13.60335 1.09192 Infinity 1.402766 Infinity
12797
673 pt 2.22952 15.85316 2.70725 -Infinity 1.218772 -Infinity
12798
674 pt 1.35279 14.64549 1.54797 Infinity 1.387852 Infinity
12799
675 pt 3.30635 14.88966 3.92510 Infinity 1.237495 Infinity
12800
676 pt 2.11675 20.02869 5.67851 -Infinity 0.890244 -Infinity
12801
677 pt 1.23600 19.78645 7.33280 Infinity 0.872145 Infinity
12802
678 pt 1.84614 18.50721 4.59089 Infinity 0.991334 Infinity
12803
679 pt -6.69650 19.79345 -7.29386 -Infinity 0.867695 -Infinity
12804
680 pt -6.97566 19.52570 -5.44414 Infinity 0.900823 Infinity
12805
681 pt -7.32300 18.28916 -8.25076 Infinity 0.902250 Infinity
12806
682 pt -3.80634 20.07666 -1.62086 -Infinity 0.949863 -Infinity
12807
683 pt -2.40324 18.98149 -2.25566 Infinity 1.027346 Infinity
12808
684 pt -5.40967 19.07809 -1.56369 Infinity 0.982834 Infinity
12809
685 pt 7.18684 20.32980 4.21065 -Infinity 0.835638 -Infinity
12810
686 pt 5.40854 20.09763 4.80633 Infinity 0.865552 Infinity
12811
687 pt 7.75819 18.77141 3.30731 Infinity 0.898661 Infinity
12812
688 pt 4.39482 18.66949 -1.00442 -Infinity 1.010301 -Infinity
12813
689 pt 6.23177 18.23129 -0.93606 Infinity 0.994689 Infinity
12814
690 pt 3.49553 17.84577 0.43912 Infinity 1.075773 Infinity
12815
691 pt -5.81876 7.99781 -6.42793 -Infinity 1.826805 -Infinity
12816
692 pt -4.63188 9.19518 -7.28155 Infinity 1.708523 Infinity
12817
693 pt -7.52198 8.11250 -7.23846 Infinity 1.542307 Infinity
12818
694 pt 5.30558 7.12032 -6.74311 -Infinity 1.824666 -Infinity
12819
695 pt 6.93611 7.44341 -7.64203 Infinity 1.511999 Infinity
12820
696 pt 4.65080 8.73983 -6.02234 Infinity 1.837114 Infinity
12821
697 pt -3.27421 16.92807 5.59097 -Infinity 1.052378 -Infinity
12822
698 pt -2.79936 16.12480 3.94770 Infinity 1.164469 Infinity
12823
699 pt -4.83245 16.10227 6.26994 Infinity 1.054054 Infinity
12824
700 pt 10.51250 12.75893 5.91031 -Infinity 1.006249 -Infinity
12825
701 pt 11.46403 14.06130 4.92569 Infinity 0.943935 Infinity
12826
702 pt 11.55859 12.18784 7.37680 Infinity 0.940168 Infinity
12827
703 pt 21.02073 11.18789 5.73530 -Infinity 0.672438 -Infinity
12828
704 pt 21.66297 9.94320 4.46670 Infinity 0.675371 Infinity
12829
705 pt 20.70567 10.30881 7.37817 Infinity 0.672891 Infinity
12830
706 pt 11.20937 10.51556 -3.38202 -Infinity 1.166322 -Infinity
12831
707 pt 11.48667 8.96436 -4.42507 Infinity 1.186716 Infinity
12832
708 pt 12.62683 10.70718 -2.14705 Infinity 1.073969 Infinity
12833
709 pt 16.06061 9.91997 4.83481 -Infinity 0.857913 -Infinity
12834
710 pt 17.84160 10.54770 4.90630 Infinity 0.781422 Infinity
12835
711 pt 15.21809 10.22139 6.49925 Infinity 0.858761 Infinity
12836
712 pt 17.75792 17.66393 4.65602 -Infinity 0.674472 -Infinity
12837
713 pt 17.42672 18.04202 6.47767 Infinity 0.661002 Infinity
12838
714 pt 19.60913 17.81332 4.30706 Infinity 0.635373 Infinity
12839
715 pt 14.98491 17.10311 -3.44561 -Infinity 0.775116 -Infinity
12840
716 pt 14.76779 16.76149 -1.59974 Infinity 0.795107 Infinity
12841
717 pt 16.74634 16.65917 -3.96652 Infinity 0.734345 Infinity
12842
718 pt 14.03992 15.74712 1.58747 -Infinity 0.838114 -Infinity
12843
719 pt 15.34080 16.47475 2.74908 Infinity 0.771733 Infinity
12844
720 pt 14.54355 13.99344 1.09552 Infinity 0.871186 Infinity
12845
721 pt 18.99371 8.50352 -2.41118 -Infinity 0.795412 -Infinity
12846
722 pt 19.44914 9.04610 -4.16311 Infinity 0.766249 Infinity
12847
723 pt 18.42886 6.70035 -2.43589 Infinity 0.833188 Infinity
12848
724 pt 8.85096 16.48082 0.99141 -Infinity 0.999169 -Infinity
12849
725 pt 10.73545 16.40646 1.11062 Infinity 0.933779 Infinity
12850
726 pt 8.17348 14.75557 0.62316 Infinity 1.127982 Infinity
12851
727 pt 7.14384 11.58928 -0.29710 -Infinity 1.454067 -Infinity
12852
728 pt 7.40500 10.45316 1.19021 Infinity 1.506730 Infinity
12853
729 pt 8.46421 11.23449 -1.60162 Infinity 1.367693 Infinity
12854
730 pt 19.81225 16.06568 -5.07812 -Infinity 0.662895 -Infinity
12855
731 pt 20.03935 16.89811 -6.75935 Infinity 0.637615 Infinity
12856
732 pt 20.82778 16.98519 -3.77648 Infinity 0.632487 Infinity
12857
733 pt 11.45762 14.85065 -6.33230 -Infinity 0.930655 -Infinity
12858
734 pt 11.11920 13.25385 -5.38005 Infinity 1.022350 Infinity
12859
735 pt 12.79666 15.84401 -5.44277 Infinity 0.862482 Infinity
12860
736 pt 12.05187 21.30957 -4.22414 -Infinity 0.730364 -Infinity
12861
737 pt 11.29607 21.78185 -2.55777 Infinity 0.737356 Infinity
12862
738 pt 13.19790 19.82401 -3.99883 Infinity 0.747616 Infinity
12863
739 pt 8.22932 8.58297 3.72200 -Infinity 1.445884 -Infinity
12864
740 pt 9.25768 10.05862 4.30167 Infinity 1.248005 Infinity
12865
741 pt 7.92216 7.41734 5.17735 Infinity 1.440305 Infinity
12866
742 pt 15.15189 10.95722 -0.04347 -Infinity 0.926288 -Infinity
12867
743 pt 15.25738 10.37300 1.75059 Infinity 0.923042 Infinity
12868
744 pt 16.58025 10.21532 -1.03363 Infinity 0.875690 Infinity
12869
745 pt -17.86368 -6.72739 21.14778 -Infinity 0.533444 -Infinity
12870
746 pt -17.49532 -7.28540 22.91526 Infinity 0.510919 Infinity
12871
747 pt -17.77189 -8.21398 19.98473 Infinity 0.539697 Infinity
12872
748 pt -17.83778 -10.42268 17.78669 -Infinity 0.548712 -Infinity
12873
749 pt -17.79935 -10.25218 15.90506 Infinity 0.574164 Infinity
12874
750 pt -16.96421 -12.01990 18.29347 Infinity 0.537020 Infinity
12875
751 pt -13.40369 -15.47949 10.67090 -Infinity 0.619865 -Infinity
12876
752 pt -13.53830 -13.67009 11.19913 Infinity 0.644368 Infinity
12877
753 pt -12.62791 -15.57852 8.95060 Infinity 0.646097 Infinity
12878
754 pt -9.03126 -8.80731 21.17835 -Infinity 0.595738 -Infinity
12879
755 pt -8.72984 -7.03535 21.76174 Infinity 0.603939 Infinity
12880
756 pt -7.41888 -9.78768 21.27922 Infinity 0.593597 Infinity
12881
757 pt -10.10062 -18.37840 13.55775 -Infinity 0.569883 -Infinity
12882
758 pt -11.10068 -17.13022 12.55127 Infinity 0.593675 Infinity
12883
759 pt -9.06126 -19.44148 12.39129 Infinity 0.571162 Infinity
12884
760 pt -7.73996 -19.83491 18.06085 -Infinity 0.514396 -Infinity
12885
761 pt -8.67690 -21.45781 18.30453 Infinity 0.489163 Infinity
12886
762 pt -8.39471 -18.95314 16.52304 Infinity 0.539321 Infinity
12887
763 pt -18.52990 -9.50267 12.70863 -Infinity 0.612080 -Infinity
12888
764 pt -16.76595 -9.99741 12.24518 Infinity 0.640633 Infinity
12889
765 pt -18.70049 -7.62252 12.62493 Infinity 0.631763 Infinity
12890
766 pt -12.62201 -21.03710 7.79150 -Infinity 0.555094 -Infinity
12891
767 pt -11.96667 -19.32979 7.31540 Infinity 0.593843 Infinity
12892
768 pt -14.49802 -21.07771 7.56796 Infinity 0.540139 Infinity
12893
769 pt -13.47259 -10.58726 12.60294 -Infinity 0.679596 -Infinity
12894
770 pt -12.33097 -9.39952 11.67717 Infinity 0.738545 Infinity
12895
771 pt -12.78420 -10.90335 14.33421 Infinity 0.655009 Infinity
12896
772 pt -13.66249 -21.06409 16.07794 -Infinity 0.488187 -Infinity
12897
773 pt -12.58927 -22.13041 17.21029 Infinity 0.473619 Infinity
12898
774 pt -12.56384 -19.87414 15.10426 Infinity 0.517251 Infinity
12899
775 pt -11.49719 -11.71176 17.27747 -Infinity 0.608767 -Infinity
12900
776 pt -11.11699 -10.47762 18.65711 Infinity 0.605170 Infinity
12901
777 pt -9.88753 -12.49066 16.66642 Infinity 0.622463 Infinity
12902
778 pt 1.81058 -6.67090 19.22979 -Infinity 0.698654 -Infinity
12903
779 pt 1.31045 -7.67128 20.75300 Infinity 0.648849 Infinity
12904
780 pt 1.02900 -7.43530 17.68839 Infinity 0.732248 Infinity
12905
781 pt 7.20435 -8.05429 13.79590 -Infinity 0.782225 -Infinity
12906
782 pt 6.62345 -6.57519 14.81859 Infinity 0.791364 Infinity
12907
783 pt 5.73907 -8.78191 12.85008 Infinity 0.812103 Infinity
12908
784 pt 7.76603 -14.70598 13.02330 -Infinity 0.650647 -Infinity
12909
785 pt 6.99489 -13.08571 13.61586 Infinity 0.680548 Infinity
12910
786 pt 6.55056 -15.60597 11.89028 Infinity 0.659197 Infinity
12911
787 pt 0.62301 -19.93929 12.48493 -Infinity 0.587881 -Infinity
12912
788 pt -0.84936 -18.80562 12.82840 Infinity 0.606222 Infinity
12913
789 pt 0.04430 -21.44388 11.49884 Infinity 0.570328 Infinity
12914
790 pt -6.70181 -12.71456 15.81551 -Infinity 0.658954 -Infinity
12915
791 pt -6.56356 -10.89037 15.34193 Infinity 0.704446 Infinity
12916
792 pt -5.33477 -13.15273 17.04445 Infinity 0.636257 Infinity
12917
793 pt 4.18349 -17.03332 10.04952 -Infinity 0.668046 -Infinity
12918
794 pt 3.04780 -18.20175 11.00661 Infinity 0.634515 Infinity
12919
795 pt 3.15166 -15.97281 8.87406 Infinity 0.717378 Infinity
12920
796 pt -6.54507 -7.68305 14.28459 -Infinity 0.800701 -Infinity
12921
797 pt -5.80652 -8.26282 12.64463 Infinity 0.847129 Infinity
12922
798 pt -5.50132 -6.27068 14.98236 Infinity 0.820623 Infinity
12923
799 pt 1.50512 -20.28183 17.58942 -Infinity 0.526271 -Infinity
12924
800 pt -0.12634 -21.20715 17.82002 Infinity 0.512708 Infinity
12925
801 pt 1.78200 -19.93944 15.75171 Infinity 0.550704 Infinity
12926
802 pt 3.08732 -9.67061 11.44632 -Infinity 0.858268 -Infinity
12927
803 pt 2.31976 -10.08097 9.76897 Infinity 0.902334 Infinity
12928
804 pt 1.76467 -8.94634 12.58522 Infinity 0.854468 Infinity
12929
805 pt -3.70745 -16.64423 13.77095 -Infinity 0.631990 -Infinity
12930
806 pt -5.19638 -15.55738 14.18680 Infinity 0.641533 Infinity
12931
807 pt -3.57428 -16.84156 11.89628 Infinity 0.655383 Infinity
12932
808 pt -3.06808 -17.24963 8.86368 -Infinity 0.688114 -Infinity
12933
809 pt -1.70212 -16.29011 7.97794 Infinity 0.730350 Infinity
12934
810 pt -3.78968 -18.54569 7.69296 Infinity 0.665185 Infinity
12935
811 pt -0.63315 -7.83310 14.61168 -Infinity 0.823179 -Infinity
12936
812 pt -1.75241 -8.84520 13.47414 Infinity 0.833080 Infinity
12937
813 pt -1.42401 -6.14832 14.93899 Infinity 0.851411 Infinity
12938
814 pt -2.77862 -14.83546 18.63298 -Infinity 0.590524 -Infinity
12939
815 pt -2.74440 -15.72081 16.96384 Infinity 0.602856 Infinity
12940
816 pt -1.77459 -15.82401 19.89225 Infinity 0.558942 Infinity
12941
817 pt 5.72332 -20.72128 20.64063 -Infinity 0.481536 -Infinity
12942
818 pt 5.11329 -22.10290 21.77643 Infinity 0.458742 Infinity
12943
819 pt 4.47252 -20.44877 19.25056 Infinity 0.501409 Infinity
12944
820 pt -3.87571 -9.25132 10.15275 -Infinity 0.919674 -Infinity
12945
821 pt -3.37925 -10.70206 9.04824 Infinity 0.900733 Infinity
12946
822 pt -4.33158 -7.76624 9.07675 Infinity 1.018605 Infinity
12947
823 pt 10.34835 -9.49958 17.59388 -Infinity 0.632416 -Infinity
12948
824 pt 9.30095 -9.02091 16.09559 Infinity 0.680773 Infinity
12949
825 pt 9.22201 -10.11823 18.97941 Infinity 0.610394 Infinity
12950
826 pt 15.16747 -9.43814 12.28268 -Infinity 0.655165 -Infinity
12951
827 pt 14.65660 -7.94000 13.31498 Infinity 0.668839 Infinity
12952
828 pt 16.83833 -10.08106 12.88760 Infinity 0.611169 Infinity
12953
829 pt 13.85189 -13.16258 17.73511 -Infinity 0.550902 -Infinity
12954
830 pt 13.83043 -14.08908 16.08823 Infinity 0.560221 Infinity
12955
831 pt 12.48819 -11.85440 17.74091 Infinity 0.578811 Infinity
12956
832 pt 19.65289 -11.14101 14.31440 -Infinity 0.544626 -Infinity
12957
833 pt 19.20179 -10.54846 16.05119 Infinity 0.538032 Infinity
12958
834 pt 21.35989 -10.47962 13.84561 Infinity 0.532899 Infinity
12959
835 pt 13.63111 -19.83527 8.24223 -Infinity 0.552315 -Infinity
12960
836 pt 14.68380 -18.57292 9.17464 Infinity 0.555137 Infinity
12961
837 pt 11.82782 -19.27034 8.23456 Infinity 0.578475 Infinity
12962
838 pt 12.96203 -14.11222 12.55143 -Infinity 0.611982 -Infinity
12963
839 pt 11.07580 -14.21069 12.49222 Infinity 0.633400 Infinity
12964
840 pt 13.51034 -12.32834 12.25448 Infinity 0.637219 Infinity
12965
841 pt 20.72502 -13.85279 9.48199 -Infinity 0.542522 -Infinity
12966
842 pt 20.72054 -12.68173 10.96512 Infinity 0.544515 Infinity
12967
843 pt 21.86268 -13.16540 8.13875 Infinity 0.542687 Infinity
12968
844 pt 13.58068 -7.55220 7.80552 -Infinity 0.796216 -Infinity
12969
845 pt 11.96339 -6.70452 8.29220 Infinity 0.853487 Infinity
12970
846 pt 14.27593 -8.48667 9.29363 Infinity 0.734635 Infinity
12971
847 pt 17.00850 -9.18743 18.65708 -Infinity 0.544991 -Infinity
12972
848 pt 16.09018 -10.81678 18.38692 Infinity 0.544185 Infinity
12973
849 pt 16.13604 -8.18694 20.00204 Infinity 0.544868 Infinity
12974
850 pt 10.69447 -18.87820 14.87487 -Infinity 0.536953 -Infinity
12975
851 pt 12.18823 -18.69704 13.73166 Infinity 0.539212 Infinity
12976
852 pt 9.42891 -17.53228 14.47749 Infinity 0.569330 Infinity
12977
853 pt 8.54038 -18.70955 7.59685 -Infinity 0.623917 -Infinity
12978
854 pt 8.14829 -20.18494 6.48306 Infinity 0.604454 Infinity
12979
855 pt 7.01131 -18.26233 8.61322 Infinity 0.636961 Infinity
12980
856 pt 16.92279 -16.89999 10.87390 -Infinity 0.542464 -Infinity
12981
857 pt 18.33713 -15.85176 10.18692 Infinity 0.544520 Infinity
12982
858 pt 15.60623 -15.77013 11.62300 Infinity 0.566020 Infinity
12983
859 pt -14.35787 1.01060 18.28952 -Infinity 0.668878 -Infinity
12984
860 pt -12.58030 0.63087 18.80636 Infinity 0.682943 Infinity
12985
861 pt -15.21830 -0.58864 17.76687 Infinity 0.660222 Infinity
12986
862 pt -10.71733 -4.55710 15.61761 -Infinity 0.755740 -Infinity
12987
863 pt -9.38838 -5.84330 15.22949 Infinity 0.768988 Infinity
12988
864 pt -10.05018 -3.32275 16.88345 Infinity 0.745495 Infinity
12989
865 pt -18.95548 4.15385 8.42966 -Infinity 0.773317 -Infinity
12990
866 pt -17.93012 2.58160 8.64813 Infinity 0.803876 Infinity
12991
867 pt -19.87396 4.08392 6.77964 Infinity 0.768218 Infinity
12992
868 pt -7.52670 5.20022 16.38179 -Infinity 0.846984 -Infinity
12993
869 pt -8.84968 6.54781 16.45102 Infinity 0.814789 Infinity
12994
870 pt -7.22662 4.52079 18.11943 Infinity 0.785658 Infinity
12995
871 pt -19.46897 -4.41128 13.56381 -Infinity 0.635013 -Infinity
12996
872 pt -17.87502 -3.87704 14.42694 Infinity 0.655890 Infinity
12997
873 pt -20.75023 -4.91302 14.85907 Infinity 0.591005 Infinity
12998
874 pt -15.63460 -3.93400 17.04006 -Infinity 0.646914 -Infinity
12999
875 pt -16.14148 -4.92800 18.56521 Infinity 0.604362 Infinity
13000
876 pt -13.86075 -4.37498 16.56041 Infinity 0.681526 Infinity
13001
877 pt -15.93707 -0.20604 8.36099 -Infinity 0.869642 -Infinity
13002
878 pt -14.57889 -0.79264 9.53671 Infinity 0.884555 Infinity
13003
879 pt -17.17813 -1.60377 8.08316 Infinity 0.814993 Infinity
13004
880 pt -14.77929 5.29641 15.34940 -Infinity 0.734046 -Infinity
13005
881 pt -14.78921 3.83309 16.54508 Infinity 0.706278 Infinity
13006
882 pt -13.89403 4.80218 13.75468 Infinity 0.800682 Infinity
13007
883 pt -19.13113 -4.29164 8.40808 -Infinity 0.718953 -Infinity
13008
884 pt -20.80995 -4.58441 7.59143 Infinity 0.682116 Infinity
13009
885 pt -19.34241 -4.24397 10.28536 Infinity 0.687399 Infinity
13010
886 pt -12.00020 -1.54853 11.49486 -Infinity 0.901955 -Infinity
13011
887 pt -10.32771 -1.52532 10.61550 Infinity 0.996670 Infinity
13012
888 pt -11.89258 -2.65036 13.02635 Infinity 0.836540 Infinity
13013
889 pt -9.44113 -1.08730 19.32085 -Infinity 0.703444 -Infinity
13014
890 pt -9.11076 -2.31293 20.72076 Infinity 0.662261 Infinity
13015
891 pt -8.28776 0.39908 19.49829 Infinity 0.719924 Infinity
13016
892 pt -18.77413 7.27243 12.60861 -Infinity 0.693383 -Infinity
13017
893 pt -17.42929 6.60546 13.75649 Infinity 0.705957 Infinity
13018
894 pt -18.91657 6.15792 11.08919 Infinity 0.721969 Infinity
13019
895 pt -12.53797 3.70250 11.02413 -Infinity 0.940056 -Infinity
13020
896 pt -12.15385 1.91862 11.51533 Infinity 0.930890 Infinity
13021
897 pt -13.21790 3.73908 9.26134 Infinity 0.979987 Infinity
13022
898 pt 5.45113 -4.11504 16.61275 -Infinity 0.790730 -Infinity
13023
899 pt 4.26700 -4.96271 17.81705 Infinity 0.750473 Infinity
13024
900 pt 4.50980 -2.82031 15.60845 Infinity 0.859944 Infinity
13025
901 pt 0.10408 2.35483 19.91382 -Infinity 0.759713 -Infinity
13026
902 pt -0.78444 3.53730 21.08997 Infinity 0.721041 Infinity
13027
903 pt -0.44437 0.58157 20.26854 Infinity 0.741424 Infinity
13028
904 pt -7.25768 -1.01791 9.68710 -Infinity 1.186661 -Infinity
13029
905 pt -7.36190 0.34405 8.38124 Infinity 1.324436 Infinity
13030
906 pt -6.38326 -0.35239 11.22448 Infinity 1.128372 Infinity
13031
907 pt -3.60306 -3.69805 15.84669 -Infinity 0.855665 -Infinity
13032
908 pt -4.30930 -2.14053 15.04271 Infinity 0.912385 Infinity
13033
909 pt -2.90857 -3.26893 17.55098 Infinity 0.799482 Infinity
13034
910 pt -5.16822 0.93584 13.95800 -Infinity 1.001760 -Infinity
13035
911 pt -6.27962 2.26872 14.70585 Infinity 0.948878 Infinity
13036
912 pt -3.36800 1.50708 14.02090 Infinity 1.030360 Infinity
13037
913 pt -5.45418 -5.22758 7.37470 -Infinity 1.216460 -Infinity
13038
914 pt -6.16248 -3.72513 8.27583 Infinity 1.219485 Infinity
13039
915 pt -4.07585 -4.67142 6.20768 Infinity 1.383425 Infinity
13040
916 pt -1.29327 -2.63745 20.40036 -Infinity 0.714375 -Infinity
13041
917 pt 0.00074 -3.99020 20.14216 Infinity 0.709111 Infinity
13042
918 pt -2.05263 -2.81106 22.12207 Infinity 0.662981 Infinity
13043
919 pt 3.32394 6.59266 15.37575 -Infinity 0.931099 -Infinity
13044
920 pt 2.22603 7.99704 16.00293 Infinity 0.895070 Infinity
13045
921 pt 2.28477 5.02981 15.15508 Infinity 0.965940 Infinity
13046
922 pt 3.11322 -0.68141 13.59847 -Infinity 1.015903 -Infinity
13047
923 pt 1.91027 0.64293 14.20681 Infinity 1.013272 Infinity
13048
924 pt 2.53743 -1.33426 11.92118 Infinity 1.120668 Infinity
13049
925 pt 1.77229 -1.95877 8.96305 -Infinity 1.360934 -Infinity
13050
926 pt 2.51968 -3.14042 7.69176 Infinity 1.387410 Infinity
13051
927 pt 1.02331 -0.46822 8.07515 Infinity 1.569842 Infinity
13052
928 pt -5.02901 6.57724 8.59094 -Infinity 1.439459 -Infinity
13053
929 pt -5.85158 4.98089 8.00264 Infinity 1.504358 Infinity
13054
930 pt -5.90136 8.06108 7.81101 Infinity 1.409858 Infinity
13055
931 pt 5.15095 3.62175 19.56522 -Infinity 0.746642 -Infinity
13056
932 pt 3.39600 2.93911 19.72393 Infinity 0.754687 Infinity
13057
933 pt 5.16423 5.04530 18.32248 Infinity 0.788643 Infinity
13058
934 pt -0.39772 3.00872 14.94090 -Infinity 0.996183 -Infinity
13059
935 pt -1.45899 4.50417 14.48440 Infinity 1.022443 Infinity
13060
936 pt -0.36954 2.80484 16.81938 Infinity 0.891726 Infinity
13061
937 pt -6.64425 3.06742 20.98053 -Infinity 0.698460 -Infinity
13062
938 pt -8.05623 3.05402 22.23640 Infinity 0.652722 Infinity
13063
939 pt -5.08996 3.77882 21.78623 Infinity 0.685816 Infinity
13064
940 pt -3.54158 6.82065 13.62283 -Infinity 1.040153 -Infinity
13065
941 pt -4.02152 6.90553 11.79704 Infinity 1.160868 Infinity
13066
942 pt -5.07583 6.45005 14.66195 Infinity 0.960614 Infinity
13067
943 pt 15.28954 2.36985 10.19335 -Infinity 0.822756 -Infinity
13068
944 pt 14.41915 3.27122 11.60793 Infinity 0.816567 Infinity
13069
945 pt 15.82134 0.65151 10.77262 Infinity 0.784269 Infinity
13070
946 pt 13.60355 5.48760 20.47039 -Infinity 0.619186 -Infinity
13071
947 pt 15.05712 4.42864 21.05074 Infinity 0.590805 Infinity
13072
948 pt 14.20977 6.75061 19.20218 Infinity 0.633295 Infinity
13073
949 pt 17.83250 -4.42491 7.54908 -Infinity 0.732956 -Infinity
13074
950 pt 17.61323 -3.43547 9.14407 Infinity 0.727638 Infinity
13075
951 pt 16.41989 -5.66854 7.37882 Infinity 0.757975 Infinity
13076
952 pt 20.63972 -5.69244 17.81691 -Infinity 0.535629 -Infinity
13077
953 pt 22.06784 -6.15055 18.96655 Infinity 0.503871 Infinity
13078
954 pt 19.21926 -6.91543 18.05700 Infinity 0.543156 Infinity
13079
955 pt 9.03179 -5.69478 9.46747 -Infinity 0.938911 -Infinity
13080
956 pt 8.50800 -6.82408 10.88922 Infinity 0.874108 Infinity
13081
957 pt 8.73233 -3.89243 9.95012 Infinity 0.983528 Infinity
13082
958 pt 8.08021 -1.06664 11.74697 -Infinity 0.990150 -Infinity
13083
959 pt 9.12325 -1.17998 13.31868 Infinity 0.888884 Infinity
13084
960 pt 6.27345 -0.76191 12.20936 Infinity 1.026972 Infinity
13085
961 pt 7.59028 6.14261 8.18668 -Infinity 1.275213 -Infinity
13086
962 pt 5.89005 6.69736 8.79704 Infinity 1.315336 Infinity
13087
963 pt 8.92505 6.80633 9.34811 Infinity 1.110659 Infinity
13088
964 pt 16.80377 -2.32912 12.31046 -Infinity 0.704937 -Infinity
13089
965 pt 15.60889 -3.45022 13.25197 Infinity 0.704291 Infinity
13090
966 pt 18.35498 -2.04459 13.35153 Infinity 0.654877 Infinity
13091
967 pt 10.05783 -1.84146 16.49901 -Infinity 0.753014 -Infinity
13092
968 pt 10.18834 -0.51533 17.83894 Infinity 0.722528 Infinity
13093
969 pt 8.44493 -2.80179 16.71671 Infinity 0.763480 Infinity
13094
970 pt 9.02812 1.27670 7.27224 -Infinity 1.240850 -Infinity
13095
971 pt 8.88810 0.32547 8.89908 Infinity 1.133721 Infinity
13096
972 pt 8.66395 3.10572 7.57744 Infinity 1.268505 Infinity
13097
973 pt 10.01205 1.83638 20.06944 -Infinity 0.674886 -Infinity
13098
974 pt 8.23300 2.46527 19.96681 Infinity 0.700549 Infinity
13099
975 pt 11.18349 3.29650 20.32799 Infinity 0.655425 Infinity
13100
976 pt 13.02417 4.68104 14.39937 -Infinity 0.776948 -Infinity
13101
977 pt 14.17957 5.93934 15.20733 Infinity 0.725351 Infinity
13102
978 pt 12.54695 3.35996 15.66353 Infinity 0.753146 Infinity
13103
979 pt 20.48377 -0.73546 19.46276 -Infinity 0.538586 -Infinity
13104
980 pt 21.58446 -0.96894 20.98099 Infinity 0.506773 Infinity
13105
981 pt 20.28909 -2.38668 18.56463 Infinity 0.547026 Infinity
13106
982 pt 13.50885 -5.46811 15.27662 -Infinity 0.683595 -Infinity
13107
983 pt 13.04466 -6.89550 16.42473 Infinity 0.652115 Infinity
13108
984 pt 12.36488 -3.99948 15.60148 Infinity 0.713302 Infinity
13109
985 pt -8.55978 13.14483 11.60942 -Infinity 0.897715 -Infinity
13110
986 pt -9.33517 11.43108 11.42803 Infinity 0.929799 Infinity
13111
987 pt -8.19325 13.85594 9.89740 Infinity 0.946735 Infinity
13112
988 pt -10.43540 18.37426 18.47158 -Infinity 0.604940 -Infinity
13113
989 pt -10.09194 17.95508 20.28194 Infinity 0.582429 Infinity
13114
990 pt -10.76313 16.78285 17.50666 Infinity 0.640095 Infinity
13115
991 pt -11.44291 8.86345 17.26625 -Infinity 0.727554 -Infinity
13116
992 pt -12.84567 7.74340 16.67563 Infinity 0.727253 Infinity
13117
993 pt -11.11900 8.55419 19.10214 Infinity 0.685828 Infinity
13118
994 pt -11.82219 13.92481 15.61237 -Infinity 0.706149 -Infinity
13119
995 pt -11.79540 12.21857 16.42422 Infinity 0.709825 Infinity
13120
996 pt -10.65670 13.93414 14.12489 Infinity 0.761614 Infinity
13121
997 pt -17.72015 14.22438 6.78914 -Infinity 0.737977 -Infinity
13122
998 pt -19.25308 13.23262 6.30169 Infinity 0.717564 Infinity
13123
999 pt -17.17030 13.72298 8.52618 Infinity 0.736880 Infinity
13124
1000 pt -16.78843 12.13269 11.60131 -Infinity 0.717209 -Infinity
13125
1001 pt -17.48318 10.39530 11.86564 Infinity 0.715152 Infinity
13126
1002 pt -14.97919 12.17819 12.14502 Infinity 0.748217 Infinity
13127
1003 pt -11.12403 8.79059 10.23757 -Infinity 0.978513 -Infinity
13128
1004 pt -11.71680 8.82634 8.44358 Infinity 1.026289 Infinity
13129
1005 pt -11.29043 7.03713 10.92223 Infinity 0.971121 Infinity
13130
1006 pt -21.45677 14.31269 12.50289 -Infinity 0.589543 -Infinity
13131
1007 pt -21.54150 15.99516 13.35915 Infinity 0.564563 Infinity
13132
1008 pt -19.64983 13.79726 12.30201 Infinity 0.628453 Infinity
13133
1009 pt -16.10633 17.16414 16.42900 -Infinity 0.590760 -Infinity
13134
1010 pt -14.88177 15.81374 15.93107 Infinity 0.630031 Infinity
13135
1011 pt -15.33966 18.86106 16.10690 Infinity 0.584955 Infinity
13136
1012 pt -7.99356 20.83352 10.28600 -Infinity 0.727876 -Infinity
13137
1013 pt -9.74673 20.75070 9.58558 Infinity 0.719796 Infinity
13138
1014 pt -6.77769 21.23808 8.89710 Infinity 0.753378 Infinity
13139
1015 pt -0.48096 9.94792 16.49141 -Infinity 0.855197 -Infinity
13140
1016 pt -1.63714 8.87621 15.44942 Infinity 0.918677 Infinity
13141
1017 pt -1.23474 11.66782 16.70312 Infinity 0.817728 Infinity
13142
1018 pt 3.68074 8.66127 10.59626 -Infinity 1.192514 -Infinity
13143
1019 pt 3.34558 7.55119 12.08839 Infinity 1.118645 Infinity
13144
1020 pt 4.73093 10.13819 11.13185 Infinity 1.079529 Infinity
13145
1021 pt -1.30132 18.55492 10.05202 -Infinity 0.856115 -Infinity
13146
1022 pt -1.82917 17.95008 8.34128 Infinity 0.927473 Infinity
13147
1023 pt -2.56976 17.99795 11.33728 Infinity 0.835331 Infinity
13148
1024 pt -2.85349 14.51688 16.98704 -Infinity 0.752516 -Infinity
13149
1025 pt -3.94520 15.24942 15.62961 Infinity 0.773621 Infinity
13150
1026 pt -3.85797 14.34022 18.57792 Infinity 0.705803 Infinity
13151
1027 pt -3.24106 20.38192 17.67302 -Infinity 0.631631 -Infinity
13152
1028 pt -3.66432 19.21288 16.24991 Infinity 0.679157 Infinity
13153
1029 pt -4.67239 21.58459 17.94860 Infinity 0.603143 Infinity
13154
1030 pt -5.50453 17.17533 13.19699 -Infinity 0.786220 -Infinity
13155
1031 pt -6.44576 15.59294 12.77130 Infinity 0.829611 Infinity
13156
1032 pt -6.37051 18.65682 12.40559 Infinity 0.759347 Infinity
13157
1033 pt -0.02938 6.98844 7.01504 -Infinity 1.806969 -Infinity
13158
1034 pt 1.14895 7.71723 8.30013 Infinity 1.535276 Infinity
13159
1035 pt -1.77527 6.90800 7.73370 Infinity 1.672664 Infinity
13160
1036 pt 6.77365 11.90334 13.32147 -Infinity 0.881342 -Infinity
13161
1037 pt 5.80174 11.93368 14.94183 Infinity 0.835859 Infinity
13162
1038 pt 7.65524 13.55779 13.08344 Infinity 0.835829 Infinity
13163
1039 pt 5.41852 14.45454 19.72899 -Infinity 0.660619 -Infinity
13164
1040 pt 4.29088 15.23998 18.43185 Infinity 0.688592 Infinity
13165
1041 pt 7.21713 14.89356 19.35043 Infinity 0.650433 Infinity
13166
1042 pt 2.49850 10.30866 20.89699 -Infinity 0.689876 -Infinity
13167
1043 pt 3.64088 11.79062 20.63276 Infinity 0.678219 Infinity
13168
1044 pt 1.29429 10.17383 19.44690 Infinity 0.739035 Infinity
13169
1045 pt 2.09371 16.12599 16.25691 -Infinity 0.741950 -Infinity
13170
1046 pt 2.10747 16.98535 14.57394 Infinity 0.769947 Infinity
13171
1047 pt 0.33338 15.57741 16.67086 Infinity 0.745859 Infinity
13172
1048 pt 14.28633 10.91695 9.52733 -Infinity 0.816625 -Infinity
13173
1049 pt 13.02180 9.86393 10.45640 Infinity 0.849702 Infinity
13174
1050 pt 16.02887 10.46100 10.09892 Infinity 0.758873 Infinity
13175
1051 pt 14.29889 13.47434 16.69262 -Infinity 0.636241 -Infinity
13176
1052 pt 15.92983 13.60116 17.63867 Infinity 0.596111 Infinity
13177
1053 pt 14.47159 14.33509 15.01920 Infinity 0.654070 Infinity
13178
1054 pt 17.03841 19.26055 9.68544 -Infinity 0.619087 -Infinity
13179
1055 pt 18.47326 20.07917 10.60311 Infinity 0.577607 Infinity
13180
1056 pt 15.79857 20.58105 9.14677 Infinity 0.623833 Infinity
13181
1057 pt 9.26622 16.36008 13.02087 -Infinity 0.748430 -Infinity
13182
1058 pt 11.08685 16.06847 12.60696 Infinity 0.732729 Infinity
13183
1059 pt 8.92707 18.21739 13.10117 Infinity 0.712916 Infinity
13184
1060 pt 10.65504 21.05000 19.19416 -Infinity 0.551958 -Infinity
13185
1061 pt 10.86231 21.99384 17.57019 Infinity 0.560295 Infinity
13186
1062 pt 8.92991 21.37180 19.89519 Infinity 0.550368 Infinity
13187
1063 pt 15.69520 8.39276 16.71258 -Infinity 0.652068 -Infinity
13188
1064 pt 17.58459 8.39920 16.74756 Infinity 0.618993 Infinity
13189
1065 pt 15.05866 10.17177 16.68110 Infinity 0.652729 Infinity
13190
1066 pt 19.27244 9.98682 10.68192 -Infinity 0.670436 -Infinity
13191
1067 pt 19.84427 11.65580 11.35911 Infinity 0.635960 Infinity
13192
1068 pt 20.29169 8.60384 11.46904 Infinity 0.645442 Infinity
13193
1069 pt 14.24259 15.54851 11.91663 -Infinity 0.695987 -Infinity
13194
1070 pt 14.42127 13.96236 10.90506 Infinity 0.735684 Infinity
13195
1071 pt 15.37541 16.88250 11.20370 Infinity 0.665114 Infinity
13196
1072 pt 18.29873 13.25479 20.01465 -Infinity 0.535764 -Infinity
13197
1073 pt 18.56623 15.10156 20.31294 Infinity 0.518107 Infinity
13198
1074 pt 19.95323 12.34986 20.13632 Infinity 0.520389 Infinity
13199
1075 pt 20.88558 8.61600 16.89172 -Infinity 0.563666 -Infinity
13200
1076 pt 21.94354 7.99195 15.45563 Infinity 0.566880 Infinity
13201
1077 pt 21.96533 9.60164 18.08911 Infinity 0.530839 Infinity
13202
1078 pt 10.59271 15.77113 19.59746 -Infinity 0.605111 -Infinity
13203
1079 pt 10.73962 17.64400 19.39296 Infinity 0.586960 Infinity
13204
1080 pt 11.68371 14.90919 18.31767 Infinity 0.626184 Infinity
13205
1081 pt 10.49783 8.34353 11.76116 -Infinity 0.911402 -Infinity
13206
1082 pt 11.20180 7.01540 12.90640 Infinity 0.862312 Infinity
13207
1083 pt 9.29399 9.43500 12.72581 Infinity 0.893589 Infinity
13213
1 a.u. = 0.171524 10**(-8) dyn/esu
13215
Atom X Y Z Electric field (a.u.)
13217
------------------------------------------------------------------------------------------------
13218
------------------------------------------------------------------------
13220
------------------------------------------------------------------------
13221
quantum energy -114.253221260 (-.299972E+06 kjoule/mol)
13222
quantum energy adjusted -114.253221260 (-.299972E+06 kjoule/mol)
13223
quantum energy internal -114.356334928 (-.300243E+06 kjoule/mol)
13224
Bq-nuclear energy 0.103113668 (0.270725E+03 kjoule/mol)
13225
Bq-electron energy 0.000000000 (0.000000E+00 kjoule/mol)
13226
classical energy -7.460535939 (-.195876E+05 kjoule/mol)
13227
total qmmm energy -121.713757199 (-.319559E+06 kjoule/mol)
13228
------------------------------------------------------------------------
13230
reducing step 6.25000000000000013E-4 3.57725078501084384E-5 1.00000000000000008E-5
13231
Total number of active Bq charges 1083
13232
frozen_density,esp T T
13233
disabling frozen_density,esp due to active qm atoms
13239
ao basis = "ao basis"
13246
input vectors = /home/d3p975/codes/nwchem-svn/nwchem/QA/tests/tce_qmmm_ccsd_opt/perm/fmd.movecs
13247
output vectors = /home/d3p975/codes/nwchem-svn/nwchem/QA/tests/tce_qmmm_ccsd_opt/perm/fmd.movecs
13252
Summary of "ao basis" -> "ao basis" (cartesian)
13253
------------------------------------------------------------------------------
13254
Tag Description Shells Functions and Types
13255
---------------- ------------------------------ ------ ---------------------
13256
O cc-pVDZ 6 15 3s2p1d
13257
C cc-pVDZ 6 15 3s2p1d
13262
Forming initial guess at 528.8s
13265
Loading old vectors from job with title :
13269
Nuclear repulsion energy = 31.0561354676177
13270
Bq nuclear interaction energy = 0.1031518498311749
13272
Starting SCF solution at 528.8s
13276
----------------------------------------------
13277
Quadratically convergent ROHF
13279
Convergence threshold : 1.000E-10
13280
Maximum no. of iterations : 200
13281
Final Fock-matrix accuracy: 0.000E+00
13282
----------------------------------------------
13285
#quartets = 1.471E+04 #integrals = 3.754E+05 #direct = 0.0% #cached =100.0%
13288
Integral file = /scratch/fmd.aoints.00
13289
Record size in doubles = 65536 No. of integs per rec = 43688
13290
Max. records in memory = 2 Max. records in file = 225827
13291
No. of bits per label = 8 No. of bits per value = 64
13294
File balance: exchanges= 0 moved= 0 time= 0.0
13296
Nuclear repulsion energy = 31.0561354676177
13297
Bq nuclear interaction energy = 0.1031518498311749
13299
iter energy gnorm gmax time
13300
----- ------------------- --------- --------- --------
13301
1 -113.9148374521 5.71E-04 1.57E-04 472.6
13302
Nuclear repulsion energy = 31.0561354676177
13303
Bq nuclear interaction energy = 0.1031518498311749
13304
2 -113.9148374770 2.46E-07 6.96E-08 472.9
13305
Nuclear repulsion energy = 31.0561354676177
13306
Bq nuclear interaction energy = 0.1031518498311749
13307
3 -113.9148374770 6.27E-12 1.83E-12 473.2
13308
Nuclear repulsion energy = 31.0561354676177
13309
Bq nuclear interaction energy = 0.1031518498311749
13315
Total SCF energy = -113.914837477021
13316
One-electron energy = -217.235673907282
13317
Two-electron energy = 72.161549112812
13318
Nuclear repulsion energy = 31.159287317449
13320
Time for solution = 0.7s
13346
ROHF Final Molecular Orbital Analysis
13347
-------------------------------------
13349
Vector 2 Occ=2.000000E+00 E=-1.134271E+01
13350
MO Center= 2.3E-01, 2.2E+00, -5.9E-01, r^2= 2.7E-02
13351
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
13352
----- ------------ --------------- ----- ------------ ---------------
13355
Vector 3 Occ=2.000000E+00 E=-1.396160E+00
13356
MO Center= -5.8E-01, 1.8E+00, -5.6E-01, r^2= 5.0E-01
13357
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
13358
----- ------------ --------------- ----- ------------ ---------------
13359
2 0.409237 1 O s 3 0.388374 1 O s
13360
17 0.207508 2 C s 19 -0.163983 2 C px
13362
Vector 4 Occ=2.000000E+00 E=-8.541397E-01
13363
MO Center= 1.8E-01, 2.1E+00, -5.8E-01, r^2= 1.4E+00
13364
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
13365
----- ------------ --------------- ----- ------------ ---------------
13366
17 0.355265 2 C s 3 -0.260889 1 O s
13367
18 0.234602 2 C s 31 0.228102 3 H s
13368
36 0.225599 4 H s 2 -0.192123 1 O s
13371
Vector 5 Occ=2.000000E+00 E=-6.769625E-01
13372
MO Center= -2.2E-02, 2.0E+00, -5.8E-01, r^2= 1.3E+00
13373
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
13374
----- ------------ --------------- ----- ------------ ---------------
13375
21 0.368702 2 C pz 6 0.334256 1 O pz
13376
36 -0.235819 4 H s 31 0.232808 3 H s
13379
Vector 6 Occ=2.000000E+00 E=-6.505361E-01
13380
MO Center= -5.0E-01, 1.8E+00, -5.5E-01, r^2= 1.3E+00
13381
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
13382
----- ------------ --------------- ----- ------------ ---------------
13383
4 0.436871 1 O px 19 -0.350966 2 C px
13384
7 0.289953 1 O px 3 -0.254969 1 O s
13385
5 0.203651 1 O py 20 -0.170698 2 C py
13387
Vector 7 Occ=2.000000E+00 E=-5.268978E-01
13388
MO Center= -5.5E-01, 1.8E+00, -5.6E-01, r^2= 9.2E-01
13389
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
13390
----- ------------ --------------- ----- ------------ ---------------
13391
5 0.431554 1 O py 8 0.313088 1 O py
13392
20 0.262879 2 C py 4 -0.192838 1 O px
13393
6 0.182597 1 O pz 23 0.150537 2 C py
13395
Vector 8 Occ=2.000000E+00 E=-4.362472E-01
13396
MO Center= -2.6E-01, 1.9E+00, -5.7E-01, r^2= 1.6E+00
13397
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
13398
----- ------------ --------------- ----- ------------ ---------------
13399
6 0.486038 1 O pz 9 0.408199 1 O pz
13400
31 -0.255706 3 H s 36 0.254941 4 H s
13401
21 -0.216605 2 C pz 5 -0.164120 1 O py
13403
Vector 9 Occ=0.000000E+00 E= 1.469607E-01
13404
MO Center= 4.2E-02, 2.1E+00, -5.8E-01, r^2= 1.7E+00
13405
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
13406
----- ------------ --------------- ----- ------------ ---------------
13407
23 0.584744 2 C py 8 -0.417619 1 O py
13408
20 0.370531 2 C py 5 -0.300434 1 O py
13409
22 -0.275859 2 C px 24 0.250370 2 C pz
13410
7 0.195823 1 O px 9 -0.175906 1 O pz
13411
19 -0.173619 2 C px 21 0.157097 2 C pz
13413
Vector 10 Occ=0.000000E+00 E= 2.234047E-01
13414
MO Center= 9.4E-01, 2.4E+00, -4.5E-01, r^2= 4.0E+00
13415
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
13416
----- ------------ --------------- ----- ------------ ---------------
13417
18 1.913038 2 C s 32 -1.500686 3 H s
13418
37 -1.238388 4 H s 22 0.605984 2 C px
13419
23 0.257443 2 C py 19 0.166124 2 C px
13421
Vector 11 Occ=0.000000E+00 E= 2.912101E-01
13422
MO Center= 9.8E-01, 2.6E+00, -7.9E-01, r^2= 4.1E+00
13423
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
13424
----- ------------ --------------- ----- ------------ ---------------
13425
37 1.930377 4 H s 32 -1.747928 3 H s
13426
24 1.292653 2 C pz 23 -0.448653 2 C py
13427
21 0.340868 2 C pz 9 -0.273389 1 O pz
13430
Vector 12 Occ=0.000000E+00 E= 3.719195E-01
13431
MO Center= 1.1E-01, 2.1E+00, -5.9E-01, r^2= 3.0E+00
13432
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
13433
----- ------------ --------------- ----- ------------ ---------------
13434
3 1.814551 1 O s 22 1.556841 2 C px
13435
18 -1.384330 2 C s 23 0.739796 2 C py
13436
7 0.622325 1 O px 8 0.297592 1 O py
13438
Vector 13 Occ=0.000000E+00 E= 6.836136E-01
13439
MO Center= 6.7E-01, 2.5E+00, -5.6E-01, r^2= 1.7E+00
13440
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
13441
----- ------------ --------------- ----- ------------ ---------------
13442
18 1.046932 2 C s 31 -0.765503 3 H s
13443
36 -0.747666 4 H s 30 -0.296992 2 C dzz
13444
22 0.290945 2 C px 29 0.282336 2 C dyz
13445
23 0.278335 2 C py 17 -0.213971 2 C s
13446
32 0.199180 3 H s 16 -0.195808 2 C s
13448
Vector 14 Occ=0.000000E+00 E= 6.960017E-01
13449
MO Center= 3.0E-01, 2.1E+00, -6.3E-01, r^2= 1.9E+00
13450
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
13451
----- ------------ --------------- ----- ------------ ---------------
13452
23 0.892990 2 C py 20 -0.866142 2 C py
13453
22 -0.458232 2 C px 19 0.400895 2 C px
13454
21 -0.360845 2 C pz 24 0.357494 2 C pz
13456
Vector 15 Occ=0.000000E+00 E= 7.561812E-01
13457
MO Center= 5.1E-02, 2.1E+00, -5.9E-01, r^2= 2.3E+00
13458
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
13459
----- ------------ --------------- ----- ------------ ---------------
13460
24 1.928862 2 C pz 36 0.704854 4 H s
13461
31 -0.691976 3 H s 32 -0.620000 3 H s
13462
23 -0.619542 2 C py 37 0.619380 4 H s
13463
22 0.373761 2 C px 9 -0.325083 1 O pz
13464
6 -0.297115 1 O pz 21 -0.277792 2 C pz
13466
Vector 16 Occ=0.000000E+00 E= 8.352558E-01
13467
MO Center= 5.5E-01, 2.3E+00, -5.8E-01, r^2= 2.5E+00
13468
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
13469
----- ------------ --------------- ----- ------------ ---------------
13470
24 1.507391 2 C pz 32 -1.501703 3 H s
13471
37 1.451345 4 H s 21 -0.764087 2 C pz
13472
27 0.524065 2 C dxz 23 -0.480477 2 C py
13473
36 -0.364582 4 H s 31 0.351489 3 H s
13474
22 0.326555 2 C px 29 0.265303 2 C dyz
13476
Vector 17 Occ=0.000000E+00 E= 8.942097E-01
13477
MO Center= -2.3E-02, 2.0E+00, -5.8E-01, r^2= 1.5E+00
13478
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
13479
----- ------------ --------------- ----- ------------ ---------------
13480
22 0.952806 2 C px 18 0.912724 2 C s
13481
19 -0.904323 2 C px 37 -0.532464 4 H s
13482
23 0.477502 2 C py 32 -0.467754 3 H s
13483
20 -0.445052 2 C py 7 -0.421517 1 O px
13484
26 -0.307854 2 C dxy 4 -0.266963 1 O px
13486
Vector 18 Occ=0.000000E+00 E= 9.596535E-01
13487
MO Center= 5.7E-01, 2.3E+00, -6.3E-01, r^2= 2.7E+00
13488
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
13489
----- ------------ --------------- ----- ------------ ---------------
13490
18 4.072035 2 C s 17 -1.676967 2 C s
13491
37 -1.315988 4 H s 32 -1.255021 3 H s
13492
16 -0.786805 2 C s 22 0.479055 2 C px
13493
3 -0.456723 1 O s 28 -0.288358 2 C dyy
13494
30 -0.241598 2 C dzz 23 0.236952 2 C py
13499
x = -0.59840209 y = 3.58525667 z = -1.07147758
13501
moments of inertia (a.u.)
13503
15.133069260441 -18.074852859206 0.486819047507
13504
-18.074852859206 44.120314021952 2.589336203050
13505
0.486819047507 2.589336203050 47.946813370542
13507
Mulliken analysis of the total density
13508
--------------------------------------
13510
Atom Charge Shell Charges
13511
----------- ------ -------------------------------------------------------
13512
1 O 8 8.47 2.00 0.83 0.92 2.79 1.90 0.02
13513
2 C 6 5.69 2.00 0.70 0.44 1.83 0.59 0.12
13514
3 H 1 0.93 0.75 0.15 0.03
13515
4 H 1 0.92 0.75 0.14 0.03
13517
Multipole analysis of the density wrt the origin
13518
------------------------------------------------
13520
L x y z total open nuclear
13521
- - - - ----- ---- -------
13522
0 0 0 0 0.000000 0.000000 16.000000
13524
1 1 0 0 1.399713 0.000000 -7.567940
13525
1 0 1 0 0.652166 0.000000 58.333693
13526
1 0 0 1 -0.074841 0.000000 -17.226223
13528
2 2 0 0 -10.035347 0.000000 26.741575
13529
2 1 1 0 4.669525 0.000000 -16.886713
13530
2 1 0 1 -1.467544 0.000000 8.294680
13531
2 0 2 0 -3.686638 0.000000 218.599413
13532
2 0 1 1 -1.063204 0.000000 -65.070149
13533
2 0 0 2 -8.051671 0.000000 24.129383
13535
Nuclear repulsion energy = 31.0561354676177
13536
Bq nuclear interaction energy = 0.1031518498311749
13538
Parallel integral file used 27 records with 0 large values
13540
NWChem Extensible Many-Electron Theory Module
13541
---------------------------------------------
13543
======================================================
13544
This portion of the program was automatically
13545
generated by a Tensor Contraction Engine (TCE).
13546
The development of this portion of the program
13547
and TCE was supported by US Department of Energy,
13548
Office of Science, Office of Basic Energy Science.
13549
TCE is a product of Battelle and PNNL.
13550
Please cite: S.Hirata, J.Phys.Chem.A 107, 9887 (2003).
13551
======================================================
13553
General Information
13554
-------------------
13555
Number of processors : 27
13556
Wavefunction type : Restricted Hartree-Fock
13557
No. of electrons : 16
13558
Alpha electrons : 8
13560
No. of orbitals : 80
13561
Alpha orbitals : 40
13563
Alpha frozen cores : 0
13564
Beta frozen cores : 0
13565
Alpha frozen virtuals : 0
13566
Beta frozen virtuals : 0
13567
Spin multiplicity : singlet
13568
Number of AO functions : 40
13569
Number of AO shells : 18
13570
Use of symmetry is : off
13571
Symmetry adaption is : off
13572
Schwarz screening : 0.00E+00
13574
Correlation Information
13575
-----------------------
13576
Calculation type : Coupled-cluster singles & doubles
13577
Perturbative correction : none
13578
Max iterations : 200
13579
Residual threshold : 0.10E-05
13580
T(0) DIIS level shift : 0.00E+00
13581
L(0) DIIS level shift : 0.00E+00
13582
T(1) DIIS level shift : 0.00E+00
13583
L(1) DIIS level shift : 0.00E+00
13584
T(R) DIIS level shift : 0.00E+00
13585
T(I) DIIS level shift : 0.00E+00
13586
CC-T/L Amplitude update : 5-th order DIIS
13587
I/O scheme : Global Array Library
13591
Available GA space size is 2654059007 doubles
13592
Available MA space size is 49130121 doubles
13594
Maximum block size supplied by input
13595
Maximum block size 12 doubles
13599
Block Spin Irrep Size Offset Alpha
13600
-------------------------------------------------
13601
1 alpha a 8 doubles 0 1
13602
2 beta a 8 doubles 8 1
13603
3 alpha a 10 doubles 16 3
13604
4 alpha a 11 doubles 26 4
13605
5 alpha a 11 doubles 37 5
13606
6 beta a 10 doubles 48 3
13607
7 beta a 11 doubles 58 4
13608
8 beta a 11 doubles 69 5
13610
Global array virtual files algorithm will be used
13612
Parallel file system coherency ......... OK
13614
#quartets = 1.471E+04 #integrals = 3.754E+05 #direct = 0.0% #cached =100.0%
13617
Integral file = /scratch/fmd.aoints.00
13618
Record size in doubles = 65536 No. of integs per rec = 43688
13619
Max. records in memory = 2 Max. records in file = 225827
13620
No. of bits per label = 8 No. of bits per value = 64
13623
File balance: exchanges= 0 moved= 0 time= 0.0
13626
Fock matrix recomputed
13627
1-e file size = 1600
13628
1-e file name = /scratch/fmd.f1
13629
1-e file handle = -993
13630
Cpu & wall time / sec 0.1 0.2
13632
2-e (intermediate) file size = 5769600
13633
2-e (intermediate) file name = /scratch/fmd.v2i
13634
Cpu & wall time / sec 0.1 0.1
13636
2-e file size = 3566009
13637
2-e file name = /scratch/fmd.v2
13638
2-e file handle = -991
13639
Cpu & wall time / sec 0.1 0.1
13642
t1 file name = /scratch/fmd.t1
13643
t1 file handle = -992
13644
Cpu & wall time / sec 0.0
13645
before tce_guess_t2
13648
t2 file size = 109248
13649
t2 file name = /scratch/fmd.t2
13650
t2 file handle = -989
13651
Cpu & wall time / sec 0.0
13654
-----------------------------------------------------------------
13655
Iter Residuum Correlation Cpu Wall V2*C2
13656
-----------------------------------------------------------------
13657
1 0.1517059096260 -0.3227250777401 0.2 0.2 0.0
13658
2 0.0552750393756 -0.3256042021775 0.2 0.2 0.0
13659
3 0.0173668679692 -0.3360645760568 0.2 0.2 0.0
13660
4 0.0105412406049 -0.3366006578944 0.2 0.2 0.0
13661
5 0.0044726013837 -0.3378340468779 0.2 0.2 0.0
13662
MICROCYCLE DIIS UPDATE: 5 5
13663
6 0.0016769275812 -0.3382602300929 0.2 0.2 0.0
13664
7 0.0007059549460 -0.3383699352454 0.2 0.2 0.0
13665
8 0.0003964248803 -0.3383736684366 0.2 0.2 0.0
13666
9 0.0002210888113 -0.3383780408115 0.2 0.2 0.0
13667
10 0.0001324244420 -0.3383831687584 0.2 0.2 0.0
13668
MICROCYCLE DIIS UPDATE: 10 5
13669
11 0.0000239165779 -0.3383897760738 0.2 0.2 0.0
13670
12 0.0000133842174 -0.3383903315513 0.2 0.2 0.0
13671
13 0.0000091500914 -0.3383913436602 0.2 0.2 0.0
13672
14 0.0000069379162 -0.3383913966290 0.2 0.2 0.0
13673
15 0.0000053337669 -0.3383915180895 0.2 0.2 0.0
13674
MICROCYCLE DIIS UPDATE: 15 5
13675
16 0.0000011651087 -0.3383915095279 0.2 0.2 0.0
13676
17 0.0000005969443 -0.3383916000838 0.2 0.2 0.0
13677
-----------------------------------------------------------------
13678
Iterations converged
13679
CCSD correlation energy / hartree = -0.338391600083837
13680
CCSD total energy / hartree = -114.253229077104578
13682
Singles contributions
13684
Doubles contributions
13685
9a (alpha) 9a (beta ) --- 7a (alpha) 7a (beta ) -0.1172855711
13687
CCSD Lambda iterations
13688
--------------------------------------
13689
Iter Residuum Cpu Wall
13690
--------------------------------------
13691
1 1.6754891390439 0.5 0.6
13692
2 0.0293184682669 0.5 0.6
13693
3 0.0031800776704 0.5 0.6
13694
4 0.0003674226432 0.5 0.6
13695
5 0.0001067660058 0.5 0.6
13696
MICROCYCLE DIIS UPDATE: 5 5
13697
6 0.0000239332400 0.5 0.6
13698
7 0.0000046220797 0.5 0.6
13699
8 0.0000014849901 0.5 0.6
13700
9 0.0000004815682 0.5 0.6
13701
--------------------------------------
13702
Iterations converged
13704
MO Z-VEC iterations
13705
--------------------------------------
13706
Iter Residuum Cpu Wall
13707
--------------------------------------
13708
1 0.0234827301915 0.0 0.0
13709
2 0.0076543723798 0.0 0.0
13710
3 0.0030584499850 0.0 0.0
13711
4 0.0027652017326 0.0 0.0
13712
5 0.0017222229432 0.0 0.0
13713
MICROCYCLE DIIS UPDATE: 5 5
13714
6 0.0003195643293 0.0 0.0
13715
7 0.0001723955065 0.0 0.0
13716
8 0.0000811560973 0.0 0.0
13717
9 0.0000690348888 0.0 0.0
13718
10 0.0000365665622 0.0 0.0
13719
MICROCYCLE DIIS UPDATE: 10 5
13720
11 0.0000046411926 0.0 0.0
13721
12 0.0000023096602 0.0 0.0
13722
13 0.0000011582396 0.0 0.0
13723
14 0.0000009749506 0.0 0.0
13724
--------------------------------------
13725
Iterations converged
13727
NWChem Gradients Module
13728
-----------------------
13732
wavefunction = TCE RHF CCSD
13736
ccsd ENERGY GRADIENTS
13738
atom coordinates gradient
13740
1 O -1.631615 3.087324 -1.028207 0.013779 0.002224 0.002539
13741
2 C 0.438641 4.084595 -1.115154 -0.001044 -0.000317 0.000178
13742
3 H 1.757943 4.021807 0.509971 -0.000173 0.000053 -0.000025
13743
4 H 1.095190 5.105727 -2.819614 -0.000874 0.000395 0.000364
13745
----------------------------------------
13746
| Time | 1-e(secs) | 2-e(secs) |
13747
----------------------------------------
13748
| CPU | 0.08 | 0.13 |
13749
----------------------------------------
13750
| WALL | 0.14 | 0.14 |
13751
----------------------------------------
13753
Parallel integral file used 27 records with 0 large values
13755
Bq nuclear interaction energy = 0.1031518498311749
13756
Calculating forces on classical charges
13757
---------------------------------------
13758
Total number of charges 1083
13759
NWChem Property Module
13760
----------------------
13764
---------------------------------------------
13765
Electrostatic potential/diamagnetic shielding
13766
---------------------------------------------
13768
1 a.u. = 9.07618 esu/cm ( or statvolts )
13769
Point X Y Z Total Potential(a.u.) Diamagnetic shielding(a.u.) External Bq potential
13770
1 pt -10.84723 -20.95206 -11.78145 -Infinity 0.557454 -Infinity
13771
2 pt -9.86955 -19.74675 -10.70328 Infinity 0.594238 Infinity
13772
3 pt -12.23975 -21.72295 -10.76279 Infinity 0.541872 Infinity
13773
4 pt -13.12431 -10.66220 -18.89845 -Infinity 0.613887 -Infinity
13774
5 pt -13.17480 -12.55121 -18.91047 Infinity 0.588766 Infinity
13775
6 pt -11.56403 -10.06709 -19.78300 Infinity 0.623511 Infinity
13776
7 pt -16.79698 -8.14740 -16.53412 -Infinity 0.632351 -Infinity
13777
8 pt -17.27884 -9.23444 -15.06537 Infinity 0.632783 Infinity
13778
9 pt -15.30717 -8.90378 -17.41696 Infinity 0.632081 Infinity
13779
10 pt -17.30898 -10.90329 -12.00970 -Infinity 0.648109 -Infinity
13780
11 pt -18.50874 -9.94796 -10.90563 Infinity 0.652618 Infinity
13781
12 pt -16.21978 -12.01827 -10.94126 Infinity 0.661203 Infinity
13782
13 pt -12.84229 -7.70713 -11.71752 -Infinity 0.808884 -Infinity
13783
14 pt -11.59319 -8.74067 -10.74665 Infinity 0.835253 Infinity
13784
15 pt -14.34453 -8.77081 -12.14520 Infinity 0.742124 Infinity
13785
16 pt -16.85206 -17.68011 -11.06739 -Infinity 0.559566 -Infinity
13786
17 pt -15.76931 -16.30360 -10.35749 Infinity 0.599186 Infinity
13787
18 pt -18.60008 -17.53383 -10.36448 Infinity 0.546357 Infinity
13788
19 pt -7.79410 -18.14784 -8.64778 -Infinity 0.662508 -Infinity
13789
20 pt -7.25183 -19.87407 -8.10266 Infinity 0.629520 Infinity
13790
21 pt -7.82011 -16.99302 -7.15219 Infinity 0.705647 Infinity
13791
22 pt -14.30790 -19.61047 -15.39045 -Infinity 0.523830 -Infinity
13792
23 pt -12.76607 -20.03958 -14.38562 Infinity 0.537709 Infinity
13793
24 pt -15.61428 -18.85789 -14.25112 Infinity 0.531979 Infinity
13794
25 pt -9.64833 -10.74055 -8.91994 -Infinity 0.855940 -Infinity
13795
26 pt -9.72122 -10.58856 -7.03775 Infinity 0.894228 Infinity
13796
27 pt -7.84571 -10.70876 -9.48617 Infinity 0.882567 Infinity
13797
28 pt -14.24334 -13.62735 -8.86931 -Infinity 0.686031 -Infinity
13798
29 pt -14.63664 -13.92470 -7.04504 Infinity 0.688610 Infinity
13799
30 pt -12.50957 -12.89284 -9.02937 Infinity 0.732252 Infinity
13800
31 pt 4.17235 -20.91808 -8.89512 -Infinity 0.610425 -Infinity
13801
32 pt 5.42298 -22.28335 -8.51689 Infinity 0.579034 Infinity
13802
33 pt 3.29182 -21.30218 -10.52245 Infinity 0.593602 Infinity
13803
34 pt 4.77665 -17.49377 -15.08387 -Infinity 0.617175 -Infinity
13804
35 pt 6.09922 -17.11458 -13.78846 Infinity 0.633685 Infinity
13805
36 pt 4.17902 -19.27407 -14.87300 Infinity 0.588781 Infinity
13806
37 pt -4.46367 -10.02339 -10.08087 -Infinity 0.951344 -Infinity
13807
38 pt -3.35375 -11.34455 -10.85139 Infinity 0.883451 Infinity
13808
39 pt -3.47826 -9.03697 -8.80534 Infinity 1.057384 Infinity
13809
40 pt -1.01914 -20.36333 -12.13302 -Infinity 0.605327 -Infinity
13810
41 pt -1.27340 -21.50243 -13.61924 Infinity 0.569272 Infinity
13811
42 pt -1.11261 -21.37482 -10.53953 Infinity 0.598157 Infinity
13812
43 pt -0.08714 -17.77605 -20.87779 -Infinity 0.548327 -Infinity
13813
44 pt -0.21103 -18.93209 -19.38806 Infinity 0.550312 Infinity
13814
45 pt 0.74838 -18.68106 -22.31095 Infinity 0.518741 Infinity
13815
46 pt 4.93315 -8.49329 -13.92387 -Infinity 0.863023 -Infinity
13816
47 pt 3.82291 -9.85485 -14.61999 Infinity 0.814447 Infinity
13817
48 pt 4.25571 -6.80448 -14.43384 Infinity 0.905826 Infinity
13818
49 pt 7.03823 -16.37430 -19.51718 -Infinity 0.565967 -Infinity
13819
50 pt 6.72082 -17.79076 -20.72712 Infinity 0.533573 Infinity
13820
51 pt 6.03643 -16.65551 -17.93972 Infinity 0.587924 Infinity
13821
52 pt -4.71592 -16.93543 -12.62987 -Infinity 0.667933 -Infinity
13822
53 pt -3.37893 -18.26962 -12.57116 Infinity 0.642595 Infinity
13823
54 pt -5.96767 -17.23525 -11.24629 Infinity 0.671432 Infinity
13824
55 pt -4.53578 -11.35453 -20.77148 -Infinity 0.637965 -Infinity
13825
56 pt -4.98153 -12.25794 -19.17266 Infinity 0.653170 Infinity
13826
57 pt -3.82525 -12.58688 -22.01547 Infinity 0.599240 Infinity
13827
58 pt -0.95776 -13.55463 -11.75498 -Infinity 0.789885 -Infinity
13828
59 pt 0.47151 -14.29957 -10.76842 Infinity 0.783133 Infinity
13829
60 pt -2.27347 -14.87724 -12.05610 Infinity 0.740737 Infinity
13830
61 pt 2.07894 -12.46035 -15.73870 -Infinity 0.728697 -Infinity
13831
62 pt 2.94444 -14.11609 -16.02247 Infinity 0.681106 Infinity
13832
63 pt 0.77920 -12.65243 -14.38046 Infinity 0.758434 Infinity
13833
64 pt -6.00156 -13.76490 -16.51292 -Infinity 0.669736 -Infinity
13834
65 pt -7.05937 -12.50399 -15.58436 Infinity 0.706361 Infinity
13835
66 pt -5.38350 -15.08094 -15.30581 Infinity 0.666624 Infinity
13836
67 pt 7.22251 -11.46514 -21.36664 -Infinity 0.604133 -Infinity
13837
68 pt 7.28986 -13.27499 -20.82724 Infinity 0.588658 Infinity
13838
69 pt 5.42112 -10.94076 -21.59271 Infinity 0.617985 Infinity
13839
70 pt 3.25646 -15.52294 -9.20442 -Infinity 0.755412 -Infinity
13840
71 pt 3.17873 -17.38271 -8.87842 Infinity 0.703402 Infinity
13841
72 pt 4.99113 -15.05733 -9.79198 Infinity 0.748214 Infinity
13842
73 pt 0.15302 -9.35989 -19.53028 -Infinity 0.707779 -Infinity
13843
74 pt -1.61596 -9.88574 -19.93682 Infinity 0.688155 Infinity
13844
75 pt 0.85426 -10.48961 -18.18750 Infinity 0.718855 Infinity
13845
76 pt -0.87106 -7.57185 -7.14327 -Infinity 1.252140 -Infinity
13846
77 pt 0.40400 -6.36168 -7.83664 Infinity 1.316190 Infinity
13847
78 pt 0.00403 -9.13609 -6.54459 Infinity 1.148172 Infinity
13848
79 pt 8.90602 -16.16124 -12.07933 -Infinity 0.651226 -Infinity
13849
80 pt 10.06345 -16.80113 -13.42913 Infinity 0.611731 Infinity
13850
81 pt 9.41688 -16.89020 -10.41239 Infinity 0.648347 Infinity
13851
82 pt 15.56929 -12.16173 -16.15772 -Infinity 0.589070 -Infinity
13852
83 pt 13.87596 -11.50905 -15.63076 Infinity 0.627413 Infinity
13853
84 pt 15.38860 -13.18072 -17.73889 Infinity 0.560311 Infinity
13854
85 pt 10.46903 -9.04920 -18.18006 -Infinity 0.666631 -Infinity
13855
86 pt 10.20630 -9.86870 -16.49766 Infinity 0.690363 Infinity
13856
87 pt 9.37499 -9.89185 -19.47006 Infinity 0.642015 Infinity
13857
88 pt 11.63256 -16.92690 -16.83804 -Infinity 0.558469 -Infinity
13858
89 pt 12.95383 -16.38644 -18.07627 Infinity 0.541414 Infinity
13859
90 pt 9.94403 -16.94837 -17.68626 Infinity 0.561876 Infinity
13860
91 pt 9.45734 -11.17968 -13.70331 -Infinity 0.729975 -Infinity
13861
92 pt 7.78453 -10.30612 -13.60496 Infinity 0.778663 Infinity
13862
93 pt 9.29334 -12.93519 -13.02335 Infinity 0.704668 Infinity
13863
94 pt 14.57351 -7.01191 -9.89825 -Infinity 0.780255 -Infinity
13864
95 pt 13.92515 -8.75873 -9.58311 Infinity 0.765960 Infinity
13865
96 pt 13.16652 -5.92158 -10.53276 Infinity 0.832271 Infinity
13866
97 pt 14.52072 -14.46192 -8.29747 -Infinity 0.649007 -Infinity
13867
98 pt 14.24146 -13.15412 -6.96228 Infinity 0.690912 Infinity
13868
99 pt 13.17915 -15.78699 -8.17317 Infinity 0.644048 Infinity
13869
100 pt 15.52349 -19.18551 -13.76149 -Infinity 0.521580 -Infinity
13870
101 pt 16.42369 -17.59041 -13.29635 Infinity 0.536657 Infinity
13871
102 pt 14.11817 -18.79000 -14.96137 Infinity 0.529848 Infinity
13872
103 pt 17.80980 -14.69129 -12.22449 -Infinity 0.566396 -Infinity
13873
104 pt 16.67759 -14.52179 -10.72102 Infinity 0.596148 Infinity
13874
105 pt 17.13730 -13.63881 -13.64263 Infinity 0.576615 Infinity
13875
106 pt -17.30092 3.37275 -20.58380 -Infinity 0.622220 -Infinity
13876
107 pt -16.62419 2.25017 -19.22257 Infinity 0.659045 Infinity
13877
108 pt -16.62172 2.81554 -22.25690 Infinity 0.601420 Infinity
13878
109 pt -7.95546 -4.07306 -19.46213 -Infinity 0.752035 -Infinity
13879
110 pt -6.18604 -3.60035 -18.99653 Infinity 0.794198 Infinity
13880
111 pt -9.00309 -4.21656 -17.89594 Infinity 0.784420 Infinity
13881
112 pt -10.24997 -4.43798 -14.87327 -Infinity 0.856408 -Infinity
13882
113 pt -11.59767 -5.53854 -14.13600 Infinity 0.825408 Infinity
13883
114 pt -8.61824 -4.74923 -13.97236 Infinity 0.921781 Infinity
13884
115 pt -12.87220 5.50573 -13.37259 -Infinity 0.913724 -Infinity
13885
116 pt -11.97015 3.85526 -13.55514 Infinity 0.945892 Infinity
13886
117 pt -14.43303 5.26041 -12.33592 Infinity 0.891812 Infinity
13887
118 pt -13.27301 -3.61429 -8.55495 -Infinity 0.977199 -Infinity
13888
119 pt -13.17243 -4.99407 -9.84227 Infinity 0.910830 Infinity
13889
120 pt -11.68927 -2.58475 -8.60849 Infinity 1.084877 Infinity
13890
121 pt -15.46701 0.10534 -17.21924 -Infinity 0.719142 -Infinity
13891
122 pt -14.68217 -0.01148 -15.50418 Infinity 0.780301 Infinity
13892
123 pt -16.81975 -1.20379 -17.38459 Infinity 0.680245 Infinity
13893
124 pt -8.46727 -1.50307 -9.49301 -Infinity 1.269372 -Infinity
13894
125 pt -7.00354 -0.32039 -9.32027 Infinity 1.432888 Infinity
13895
126 pt -7.86071 -3.16486 -10.15754 Infinity 1.188270 Infinity
13896
127 pt -10.80319 2.83237 -18.58697 -Infinity 0.787416 -Infinity
13897
128 pt -12.46319 1.98571 -18.90102 Infinity 0.743916 Infinity
13898
129 pt -10.22102 2.44779 -16.83077 Infinity 0.863277 Infinity
13899
130 pt -18.93772 -4.42330 -13.32449 -Infinity 0.681570 -Infinity
13900
131 pt -20.71119 -4.99157 -13.00365 Infinity 0.642079 Infinity
13901
132 pt -18.12737 -5.56876 -14.59032 Infinity 0.667534 Infinity
13902
133 pt -21.03744 2.75886 -16.81039 -Infinity 0.619388 -Infinity
13903
134 pt -20.11613 3.10195 -18.42425 Infinity 0.611958 Infinity
13904
135 pt -21.15692 0.89291 -16.53648 Infinity 0.618087 Infinity
13905
136 pt -19.60622 -0.61452 -9.83695 -Infinity 0.749424 -Infinity
13906
137 pt -21.45547 -0.39893 -10.16080 Infinity 0.692570 Infinity
13907
138 pt -18.91459 -1.94315 -10.98910 Infinity 0.742351 Infinity
13908
139 pt -19.79800 -2.65696 -19.03411 -Infinity 0.591584 -Infinity
13909
140 pt -18.76455 -3.87747 -20.04078 Infinity 0.585450 Infinity
13910
141 pt -21.29637 -3.54918 -18.30616 Infinity 0.573805 Infinity
13911
142 pt -17.01945 3.90994 -10.52095 -Infinity 0.843926 -Infinity
13912
143 pt -18.20277 5.00403 -11.50776 Infinity 0.779324 Infinity
13913
144 pt -17.85587 2.25865 -10.14053 Infinity 0.818608 Infinity
13914
145 pt -10.73109 0.64357 -13.77880 -Infinity 0.967266 -Infinity
13915
146 pt -10.66490 -1.09406 -14.51862 Infinity 0.916222 Infinity
13916
147 pt -10.09643 0.59634 -11.99946 Infinity 1.080850 Infinity
13917
148 pt -19.96419 6.69707 -13.78258 -Infinity 0.683872 -Infinity
13918
149 pt -21.04509 8.20050 -14.15999 Infinity 0.646784 Infinity
13919
150 pt -20.57727 5.21308 -14.77906 Infinity 0.658276 Infinity
13920
151 pt 4.27646 3.52693 -17.96847 -Infinity 0.909318 -Infinity
13921
152 pt 4.91578 3.51724 -19.74674 Infinity 0.821401 Infinity
13922
153 pt 3.52392 5.21573 -17.57773 Infinity 0.935862 Infinity
13923
154 pt -6.17639 -5.55571 -12.02476 -Infinity 1.041901 -Infinity
13924
155 pt -5.82558 -7.30895 -11.41309 Infinity 1.003494 Infinity
13925
156 pt -4.59382 -4.52704 -11.93319 Infinity 1.128186 Infinity
13926
157 pt -4.11778 1.33637 -9.68471 -Infinity 1.661463 -Infinity
13927
158 pt -3.55474 2.67919 -10.88924 Infinity 1.544999 Infinity
13928
159 pt -4.23005 2.05867 -7.94209 Infinity 2.007013 Infinity
13929
160 pt 3.59837 0.72646 -11.24338 -Infinity 1.402077 -Infinity
13930
161 pt 5.14808 1.53401 -11.96263 Infinity 1.280161 Infinity
13931
162 pt 2.27550 2.04491 -10.95563 Infinity 1.530625 Infinity
13932
163 pt -2.21718 4.79677 -13.03885 -Infinity 1.312997 -Infinity
13933
164 pt -3.42343 6.18759 -13.46507 Infinity 1.228799 Infinity
13934
165 pt -0.66164 5.52897 -12.25447 Infinity 1.404793 Infinity
13935
166 pt 3.82600 -3.32824 -15.07553 -Infinity 0.982777 -Infinity
13936
167 pt 2.42128 -2.87034 -16.25373 Infinity 0.951249 Infinity
13937
168 pt 3.92600 -2.05099 -13.68639 Infinity 1.096846 Infinity
13938
169 pt -0.09188 1.19598 -16.39151 -Infinity 1.028464 -Infinity
13939
170 pt 1.54226 1.93467 -16.98733 Infinity 0.989079 Infinity
13940
171 pt -0.97580 2.43803 -15.27480 Infinity 1.118854 Infinity
13941
172 pt -1.95644 -2.89934 -11.69132 -Infinity 1.271381 -Infinity
13942
173 pt -0.31648 -3.32068 -10.85225 Infinity 1.327288 Infinity
13943
174 pt -2.61635 -1.26773 -11.00323 Infinity 1.415426 Infinity
13944
175 pt 2.61901 -3.73649 -8.93676 -Infinity 1.415065 -Infinity
13945
176 pt 3.02704 -2.04167 -9.66627 Infinity 1.458084 Infinity
13946
177 pt 4.17402 -4.81023 -8.92715 Infinity 1.277123 Infinity
13947
178 pt -3.13455 -2.75176 -17.46252 -Infinity 0.898659 -Infinity
13948
179 pt -2.18429 -1.14366 -17.17596 Infinity 0.946296 Infinity
13949
180 pt -3.14016 -3.77320 -15.87265 Infinity 0.953735 Infinity
13950
181 pt -2.37332 5.77743 -19.79274 -Infinity 0.843803 -Infinity
13951
182 pt -0.86921 6.26141 -18.75616 Infinity 0.893236 Infinity
13952
183 pt -3.65335 7.16636 -19.73413 Infinity 0.830023 Infinity
13953
184 pt 17.61826 2.77546 -20.84224 -Infinity 0.595777 -Infinity
13954
185 pt 17.37527 1.75654 -19.26940 Infinity 0.624917 Infinity
13955
186 pt 18.63192 1.78021 -22.08845 Infinity 0.561250 Infinity
13956
187 pt 8.87646 -4.30942 -16.48300 -Infinity 0.809707 -Infinity
13957
188 pt 9.17520 -6.03989 -17.18106 Infinity 0.755296 Infinity
13958
189 pt 7.02398 -4.04755 -16.21691 Infinity 0.859051 Infinity
13959
190 pt 18.69806 -5.45647 -12.56866 -Infinity 0.661403 -Infinity
13960
191 pt 18.43453 -5.72215 -14.42096 Infinity 0.639397 Infinity
13961
192 pt 17.29827 -6.28518 -11.60695 Infinity 0.696258 Infinity
13962
193 pt 6.85501 -6.63346 -9.49675 -Infinity 1.048825 -Infinity
13963
194 pt 8.36015 -5.61880 -10.02218 Infinity 1.019341 Infinity
13964
195 pt 6.14763 -7.53679 -10.99830 Infinity 0.974318 Infinity
13965
196 pt 7.28606 3.21664 -13.81087 -Infinity 1.068957 -Infinity
13966
197 pt 7.94021 4.98919 -13.77608 Infinity 1.043524 Infinity
13967
198 pt 6.28509 2.94439 -15.39043 Infinity 1.006486 Infinity
13968
199 pt 18.09289 -0.64844 -10.51917 -Infinity 0.750688 -Infinity
13969
200 pt 16.96802 0.45208 -11.56540 Infinity 0.774970 Infinity
13970
201 pt 18.10762 -2.39729 -11.23497 Infinity 0.724851 Infinity
13971
202 pt 16.49242 -0.69587 -17.13454 -Infinity 0.671954 -Infinity
13972
203 pt 14.82801 -0.98991 -17.97973 Infinity 0.686136 Infinity
13973
204 pt 17.49223 -2.29944 -17.13485 Infinity 0.643303 Infinity
13974
205 pt 18.34756 3.21853 -7.00221 -Infinity 0.809594 -Infinity
13975
206 pt 18.15792 1.76321 -8.19265 Infinity 0.797327 Infinity
13976
207 pt 17.55067 4.75766 -7.75528 Infinity 0.830084 Infinity
13977
208 pt 14.37974 -6.41973 -20.43671 -Infinity 0.604914 -Infinity
13978
209 pt 13.11042 -7.60423 -19.69050 Infinity 0.622624 Infinity
13979
210 pt 13.63115 -4.68903 -20.56068 Infinity 0.627197 Infinity
13980
211 pt 18.69241 -5.53020 -17.80981 -Infinity 0.590369 -Infinity
13981
212 pt 19.60332 -7.17959 -17.66543 Infinity 0.566189 Infinity
13982
213 pt 17.14995 -5.75273 -18.87863 Infinity 0.596793 Infinity
13983
214 pt 15.32871 2.62861 -13.27352 -Infinity 0.798871 -Infinity
13984
215 pt 15.60764 4.48033 -13.52732 Infinity 0.784696 Infinity
13985
216 pt 15.75374 1.70256 -14.86501 Infinity 0.746692 Infinity
13986
217 pt 12.13376 -1.76043 -19.54097 -Infinity 0.693975 -Infinity
13987
218 pt 11.31597 -0.49591 -20.68258 Infinity 0.686678 Infinity
13988
219 pt 10.83338 -2.50462 -18.38934 Infinity 0.739745 Infinity
13989
220 pt 10.79348 -4.03850 -11.69169 -Infinity 0.922121 -Infinity
13990
221 pt 10.24394 -4.17550 -13.49454 Infinity 0.877225 Infinity
13991
222 pt 10.91581 -2.21633 -11.20610 Infinity 0.975858 Infinity
13992
223 pt 10.94454 1.05125 -10.90195 -Infinity 1.043378 -Infinity
13993
224 pt 12.62008 1.70127 -11.48599 Infinity 0.947683 Infinity
13994
225 pt 9.57066 1.81774 -11.94884 Infinity 1.069234 Infinity
13995
226 pt -20.51211 13.56484 -11.32196 -Infinity 0.651641 -Infinity
13996
227 pt -21.63186 15.03296 -10.91964 Infinity 0.617105 Infinity
13997
228 pt -21.18441 12.65469 -12.83547 Infinity 0.629488 Infinity
13998
229 pt -10.46523 8.63279 -8.09919 -Infinity 1.215527 -Infinity
13999
230 pt -11.63953 7.17420 -7.84504 Infinity 1.188204 Infinity
14000
231 pt -11.46416 10.18184 -8.51590 Infinity 1.083008 Infinity
14001
232 pt -8.15588 14.57246 -12.86742 -Infinity 0.896663 -Infinity
14002
233 pt -9.14653 13.06965 -13.44296 Infinity 0.897869 Infinity
14003
234 pt -7.96230 14.51862 -10.98841 Infinity 0.967298 Infinity
14004
235 pt -17.59378 8.01631 -18.38067 -Infinity 0.648042 -Infinity
14005
236 pt -17.41510 6.38182 -19.31211 Infinity 0.640089 Infinity
14006
237 pt -18.07826 7.67072 -16.58709 Infinity 0.673520 Infinity
14007
238 pt -10.47256 10.04329 -14.53196 -Infinity 0.891911 -Infinity
14008
239 pt -11.28526 8.48432 -13.83901 Infinity 0.919900 Infinity
14009
240 pt -11.58696 10.79990 -15.85738 Infinity 0.807192 Infinity
14010
241 pt -15.75698 15.93881 -12.14329 -Infinity 0.710751 -Infinity
14011
242 pt -17.40103 15.04925 -11.86603 Infinity 0.693673 Infinity
14012
243 pt -15.74132 17.55525 -11.16456 Infinity 0.696168 Infinity
14013
244 pt -7.46751 19.13553 -14.92646 -Infinity 0.728697 -Infinity
14014
245 pt -7.66246 17.40037 -14.20377 Infinity 0.785900 Infinity
14015
246 pt -8.55464 20.34546 -13.96454 Infinity 0.707291 Infinity
14016
247 pt -10.53624 7.73402 -20.48594 -Infinity 0.719583 -Infinity
14017
248 pt -10.80886 6.05829 -19.65607 Infinity 0.748256 Infinity
14018
249 pt -11.67099 9.02173 -19.69525 Infinity 0.715169 Infinity
14019
250 pt -14.36924 17.86718 -17.06409 -Infinity 0.627038 -Infinity
14020
251 pt -14.75109 17.00461 -15.42664 Infinity 0.659710 Infinity
14021
252 pt -14.51662 19.73791 -16.84116 Infinity 0.602569 Infinity
14022
253 pt -12.66498 13.32471 -8.67150 -Infinity 0.924024 -Infinity
14023
254 pt -13.65321 14.07267 -10.09804 Infinity 0.839147 Infinity
14024
255 pt -13.49630 13.76044 -7.03134 Infinity 0.913077 Infinity
14025
256 pt -13.67825 11.26792 -18.59652 -Infinity 0.689285 -Infinity
14026
257 pt -14.24622 12.83372 -19.48913 Infinity 0.646416 Infinity
14027
258 pt -15.15896 10.12670 -18.32049 Infinity 0.679839 Infinity
14028
259 pt -9.55336 17.21485 -19.29745 -Infinity 0.653486 -Infinity
14029
260 pt -11.34681 17.11208 -18.71090 Infinity 0.647208 Infinity
14030
261 pt -8.50755 18.07802 -17.98129 Infinity 0.676270 Infinity
14031
262 pt -16.11527 15.20522 -21.27372 -Infinity 0.570811 -Infinity
14032
263 pt -15.75161 16.40769 -19.86203 Infinity 0.584673 Infinity
14033
264 pt -16.14013 16.14542 -22.91277 Infinity 0.539936 Infinity
14034
265 pt -15.56830 20.36334 -9.39387 -Infinity 0.666162 -Infinity
14035
266 pt -16.07070 22.00869 -10.17584 Infinity 0.621045 Infinity
14036
267 pt -16.21941 20.28211 -7.62171 Infinity 0.671473 Infinity
14037
268 pt -5.83197 9.47564 -18.95145 -Infinity 0.817565 -Infinity
14038
269 pt -7.58201 8.93917 -19.42118 Infinity 0.784929 Infinity
14039
270 pt -5.66627 9.50965 -17.06931 Infinity 0.897344 Infinity
14040
271 pt 3.38444 18.20482 -19.47593 -Infinity 0.671807 -Infinity
14041
272 pt 1.56555 18.01042 -19.95017 Infinity 0.671028 Infinity
14042
273 pt 4.34354 16.66657 -20.00973 Infinity 0.680394 Infinity
14043
274 pt -5.40748 14.21745 -21.14231 -Infinity 0.688573 -Infinity
14044
275 pt -5.41256 12.47926 -20.40087 Infinity 0.732647 Infinity
14045
276 pt -6.94635 15.15245 -20.56897 Infinity 0.678959 Infinity
14046
277 pt 1.81481 7.96249 -17.37456 -Infinity 0.938079 -Infinity
14047
278 pt 1.91184 9.15838 -15.91460 Infinity 0.996960 Infinity
14048
279 pt 2.11320 8.90640 -18.98424 Infinity 0.847344 Infinity
14049
280 pt -2.39331 19.06226 -15.80485 -Infinity 0.745979 -Infinity
14050
281 pt -4.25566 19.13874 -15.49364 Infinity 0.742879 Infinity
14051
282 pt -2.07353 18.64940 -17.62098 Infinity 0.713320 Infinity
14052
283 pt -1.68242 19.08771 -8.26699 -Infinity 0.933902 -Infinity
14053
284 pt -3.51003 19.43635 -7.93633 Infinity 0.912270 Infinity
14054
285 pt -0.81900 18.65373 -6.64303 Infinity 0.995690 Infinity
14055
286 pt 0.52001 16.42954 -12.34773 -Infinity 0.934805 -Infinity
14056
287 pt -0.15325 16.97691 -10.66898 Infinity 0.971188 Infinity
14057
288 pt -0.61747 17.05878 -13.71932 Infinity 0.865958 Infinity
14058
289 pt 1.98065 6.69707 -10.83120 -Infinity 1.515939 -Infinity
14059
290 pt 2.12080 8.35915 -11.71941 Infinity 1.337338 Infinity
14060
291 pt 3.13420 6.68229 -9.33447 Infinity 1.678336 Infinity
14061
292 pt -3.42664 11.77689 -8.96840 -Infinity 1.359555 -Infinity
14062
293 pt -1.84662 12.20826 -8.02578 Infinity 1.431717 Infinity
14063
294 pt -4.79607 12.98904 -8.49258 Infinity 1.255453 Infinity
14064
295 pt -1.69236 17.86562 -20.75921 -Infinity 0.657141 -Infinity
14065
296 pt -2.77242 16.31591 -20.70484 Infinity 0.680602 Infinity
14066
297 pt -2.14214 18.89517 -22.27867 Infinity 0.610602 Infinity
14067
298 pt 2.49165 11.35975 -13.31675 -Infinity 1.080665 -Infinity
14068
299 pt 4.29091 11.88129 -13.56520 Infinity 1.017044 Infinity
14069
300 pt 1.45562 12.86984 -12.85057 Infinity 1.058161 Infinity
14070
301 pt 4.15251 19.68005 -14.52756 -Infinity 0.745111 -Infinity
14071
302 pt 4.10419 19.22717 -16.36158 Infinity 0.716186 Infinity
14072
303 pt 3.17466 18.40250 -13.53623 Infinity 0.812415 Infinity
14073
304 pt -5.34370 9.06368 -13.58434 -Infinity 1.103229 -Infinity
14074
305 pt -4.56432 10.12324 -12.22752 Infinity 1.179274 Infinity
14075
306 pt -7.21176 9.34763 -13.61180 Infinity 1.042539 Infinity
14076
307 pt 5.51932 12.74781 -7.79953 -Infinity 1.249119 -Infinity
14077
308 pt 6.84929 11.60320 -8.50102 Infinity 1.220000 Infinity
14078
309 pt 6.04122 14.54719 -8.04637 Infinity 1.103439 Infinity
14079
310 pt 7.55439 17.69532 -8.34983 -Infinity 0.900704 -Infinity
14080
311 pt 8.93145 16.86304 -7.35882 Infinity 0.918972 Infinity
14081
312 pt 8.25728 18.35603 -9.97478 Infinity 0.828677 Infinity
14082
313 pt 12.51245 8.26333 -17.98032 -Infinity 0.732372 -Infinity
14083
314 pt 12.76223 7.06122 -19.41684 Infinity 0.698265 Infinity
14084
315 pt 12.89609 10.02208 -18.55536 Infinity 0.697281 Infinity
14085
316 pt 15.15889 14.50932 -15.18404 -Infinity 0.674496 -Infinity
14086
317 pt 14.53033 13.69579 -16.76964 Infinity 0.667920 Infinity
14087
318 pt 16.96792 15.00877 -15.40545 Infinity 0.632409 Infinity
14088
319 pt 11.69219 13.42591 -11.37756 -Infinity 0.854863 -Infinity
14089
320 pt 13.10797 13.80735 -12.56967 Infinity 0.780163 Infinity
14090
321 pt 12.02058 14.26792 -9.71797 Infinity 0.862681 Infinity
14091
322 pt 19.34260 17.78521 -10.15277 -Infinity 0.615275 -Infinity
14092
323 pt 20.00734 18.81379 -11.59193 Infinity 0.579753 Infinity
14093
324 pt 17.61213 18.38886 -9.69215 Infinity 0.642671 Infinity
14094
325 pt 14.81931 20.47550 -9.64200 -Infinity 0.657753 -Infinity
14095
326 pt 12.98043 20.09698 -9.42677 Infinity 0.699962 Infinity
14096
327 pt 15.06827 21.53925 -11.18392 Infinity 0.620273 Infinity
14097
328 pt 14.98961 21.15041 -20.51338 -Infinity 0.525905 -Infinity
14098
329 pt 16.21386 22.53868 -20.89415 Infinity 0.498389 Infinity
14099
330 pt 13.51704 21.26689 -21.69196 Infinity 0.523653 Infinity
14100
331 pt 13.89715 12.83430 -19.90002 -Infinity 0.628987 -Infinity
14101
332 pt 15.54440 12.73368 -20.82060 Infinity 0.591786 Infinity
14102
333 pt 12.66682 13.84588 -20.91691 Infinity 0.617100 Infinity
14103
334 pt 19.90037 11.17115 -7.02001 -Infinity 0.710078 -Infinity
14104
335 pt 21.11675 11.41617 -8.44530 Infinity 0.663342 Infinity
14105
336 pt 19.66651 12.80625 -6.10195 Infinity 0.704770 Infinity
14106
337 pt 15.86266 7.87112 -13.98275 -Infinity 0.752159 -Infinity
14107
338 pt 14.54442 7.97840 -15.33248 Infinity 0.755204 Infinity
14108
339 pt 17.31746 8.99071 -14.43125 Infinity 0.698456 Infinity
14109
340 pt 16.39511 7.65080 -8.74053 -Infinity 0.843472 -Infinity
14110
341 pt 16.02358 7.79590 -10.58769 Infinity 0.820181 Infinity
14111
342 pt 17.57345 9.03467 -8.22335 Infinity 0.793756 Infinity
14112
343 pt 7.35600 12.96715 -14.14003 -Infinity 0.894691 -Infinity
14113
344 pt 7.55476 14.02923 -15.69037 Infinity 0.813268 Infinity
14114
345 pt 8.83938 13.23168 -12.99956 Infinity 0.892272 Infinity
14115
346 pt 9.16168 19.75380 -12.73455 -Infinity 0.723109 -Infinity
14116
347 pt 10.48556 19.52285 -14.06311 Infinity 0.687081 Infinity
14117
348 pt 7.45231 19.75248 -13.54022 Infinity 0.731000 Infinity
14118
349 pt 19.08923 7.72277 -19.74192 -Infinity 0.584276 -Infinity
14119
350 pt 19.73363 8.29806 -21.42265 Infinity 0.549985 Infinity
14120
351 pt 18.67400 5.88097 -19.82215 Infinity 0.594113 Infinity
14121
352 pt 19.79474 20.54211 -14.54933 -Infinity 0.539437 -Infinity
14122
353 pt 20.98724 21.54736 -15.61633 Infinity 0.507322 Infinity
14123
354 pt 18.17455 21.49337 -14.34643 Infinity 0.550650 Infinity
14124
355 pt 8.64408 15.94060 -18.12349 -Infinity 0.697317 -Infinity
14125
356 pt 9.97514 17.12259 -17.48928 Infinity 0.675059 Infinity
14126
357 pt 8.94242 15.57806 -19.95397 Infinity 0.659182 Infinity
14127
358 pt 8.82610 8.03358 -14.40710 -Infinity 0.948671 -Infinity
14128
359 pt 8.04665 9.75465 -14.44485 Infinity 0.940239 Infinity
14129
360 pt 10.17941 7.92487 -15.72156 Infinity 0.858299 Infinity
14130
361 pt 9.29234 9.05848 -9.37457 -Infinity 1.150283 -Infinity
14131
362 pt 10.64756 10.37470 -9.41938 Infinity 1.035883 Infinity
14132
363 pt 9.11065 8.28138 -11.08752 Infinity 1.093934 Infinity
14133
364 pt 12.59673 18.81047 -16.48611 -Infinity 0.632507 -Infinity
14134
365 pt 13.51649 19.77201 -17.82795 Infinity 0.588862 Infinity
14135
366 pt 13.68255 17.39197 -15.86973 Infinity 0.647991 Infinity
14136
367 pt 19.85645 15.93878 -16.90109 -Infinity 0.559861 -Infinity
14137
368 pt 19.89666 16.39186 -18.73526 Infinity 0.535913 Infinity
14138
369 pt 20.11654 17.49490 -15.86094 Infinity 0.553305 Infinity
14139
370 pt 20.01769 10.81345 -15.74679 -Infinity 0.609920 -Infinity
14140
371 pt 19.77106 9.70772 -17.25927 Infinity 0.600324 Infinity
14141
372 pt 20.13916 12.61723 -16.29697 Infinity 0.588653 Infinity
14142
373 pt -10.99977 -18.26673 -1.58816 -Infinity 0.660352 -Infinity
14143
374 pt -12.19117 -16.96506 -0.91191 Infinity 0.677619 Infinity
14144
375 pt -9.67840 -17.42452 -2.64444 Infinity 0.696660 Infinity
14145
376 pt -17.07083 -16.08790 3.90697 -Infinity 0.611927 -Infinity
14146
377 pt -15.88624 -15.62047 2.51079 Infinity 0.644752 Infinity
14147
378 pt -17.82565 -14.52064 4.64522 Infinity 0.623935 Infinity
14148
379 pt -7.64994 -15.34516 -4.31901 -Infinity 0.780907 -Infinity
14149
380 pt -5.84106 -15.10073 -3.82984 Infinity 0.814774 Infinity
14150
381 pt -8.56352 -13.69504 -4.20268 Infinity 0.828835 Infinity
14151
382 pt -18.71629 -16.46953 -4.51881 -Infinity 0.586998 -Infinity
14152
383 pt -19.33044 -15.17994 -3.28154 Infinity 0.601188 Infinity
14153
384 pt -19.81720 -16.44496 -6.05454 Infinity 0.567063 Infinity
14154
385 pt -9.86957 -10.73162 -3.77468 -Infinity 0.926366 -Infinity
14155
386 pt -8.61630 -10.35947 -2.41017 Infinity 0.991105 Infinity
14156
387 pt -11.58602 -10.16104 -3.22759 Infinity 0.902798 Infinity
14157
388 pt -10.02704 -11.78005 3.35271 -Infinity 0.861745 -Infinity
14158
389 pt -8.56522 -11.65389 2.16181 Infinity 0.914011 Infinity
14159
390 pt -10.23786 -10.14071 4.26878 Infinity 0.909077 Infinity
14160
391 pt -13.61008 -14.11735 0.31861 -Infinity 0.726639 -Infinity
14161
392 pt -12.36112 -13.30666 1.48220 Infinity 0.771241 Infinity
14162
393 pt -14.28235 -12.82487 -0.88498 Infinity 0.748802 Infinity
14163
394 pt -18.89252 -11.57912 5.90747 -Infinity 0.646026 -Infinity
14164
395 pt -17.49419 -10.44902 6.48936 Infinity 0.688822 Infinity
14165
396 pt -19.96402 -10.66109 4.65042 Infinity 0.647481 Infinity
14166
397 pt -17.70216 -20.26342 6.80328 -Infinity 0.526229 -Infinity
14167
398 pt -18.03038 -19.64991 8.56025 Infinity 0.522509 Infinity
14168
399 pt -17.52633 -18.78390 5.64088 Infinity 0.554396 Infinity
14169
400 pt -16.47243 -7.48574 1.83749 -Infinity 0.818371 -Infinity
14170
401 pt -15.80437 -7.69942 3.59223 Infinity 0.821154 Infinity
14171
402 pt -18.32419 -7.86211 1.81718 Infinity 0.751768 Infinity
14172
403 pt -10.83510 -16.28219 6.09083 -Infinity 0.681192 -Infinity
14173
404 pt -10.06554 -17.55493 4.92508 Infinity 0.668074 Infinity
14174
405 pt -10.60374 -14.54902 5.37413 Infinity 0.737126 Infinity
14175
406 pt -14.75564 -9.61333 -2.50365 -Infinity 0.824944 -Infinity
14176
407 pt -15.44173 -8.47212 -3.84454 Infinity 0.828658 Infinity
14177
408 pt -15.26894 -8.96859 -0.80309 Infinity 0.829299 Infinity
14178
409 pt -15.26510 -7.85029 6.85546 -Infinity 0.791709 -Infinity
14179
410 pt -13.44174 -7.38506 6.68221 Infinity 0.861330 Infinity
14180
411 pt -16.24580 -6.34822 7.44968 Infinity 0.784640 Infinity
14181
412 pt -9.15442 -20.04401 2.90455 -Infinity 0.628149 -Infinity
14182
413 pt -9.72709 -21.82638 3.16201 Infinity 0.584773 Infinity
14183
414 pt -9.67216 -19.45717 1.18449 Infinity 0.642725 Infinity
14184
415 pt 4.74258 -10.87172 2.62637 -Infinity 1.005540 -Infinity
14185
416 pt 5.45485 -12.53618 3.16796 Infinity 0.899341 Infinity
14186
417 pt 5.78504 -9.47292 3.35280 Infinity 1.049026 Infinity
14187
418 pt 1.39283 -12.03771 -5.60170 -Infinity 0.972259 -Infinity
14188
419 pt 1.90546 -13.30981 -6.90172 Infinity 0.883376 Infinity
14189
420 pt 2.79707 -11.80478 -4.35875 Infinity 0.989442 Infinity
14190
421 pt -5.13490 -20.95881 6.01155 -Infinity 0.615822 -Infinity
14191
422 pt -4.30842 -22.59383 5.54818 Infinity 0.586194 Infinity
14192
423 pt -6.38209 -20.48112 4.67461 Infinity 0.628833 Infinity
14193
424 pt 0.80651 -14.65012 6.66279 -Infinity 0.803823 -Infinity
14194
425 pt 1.28653 -15.88758 5.31767 Infinity 0.775593 Infinity
14195
426 pt 0.34536 -12.99967 5.86628 Infinity 0.886339 Infinity
14196
427 pt 2.05844 -18.14120 3.17918 -Infinity 0.715990 -Infinity
14197
428 pt 2.05713 -19.83688 4.01329 Infinity 0.662219 Infinity
14198
429 pt 0.99256 -18.20418 1.62002 Infinity 0.725205 Infinity
14199
430 pt 5.51210 -11.81957 -2.46073 -Infinity 0.958224 -Infinity
14200
431 pt 5.14301 -11.37461 -0.66160 Infinity 0.994015 Infinity
14201
432 pt 6.27712 -13.54572 -2.53960 Infinity 0.861229 Infinity
14202
433 pt 3.41914 -19.86918 -3.86379 -Infinity 0.666338 -Infinity
14203
434 pt 3.58603 -20.32872 -5.68918 Infinity 0.646082 Infinity
14204
435 pt 3.85301 -21.36547 -2.79425 Infinity 0.628603 Infinity
14205
436 pt 6.55189 -15.50131 3.81207 -Infinity 0.761627 -Infinity
14206
437 pt 7.58633 -16.40608 5.10914 Infinity 0.710716 Infinity
14207
438 pt 5.02947 -16.53620 3.38510 Infinity 0.747162 Infinity
14208
439 pt -0.79122 -18.45813 -1.21444 -Infinity 0.724178 -Infinity
14209
440 pt 0.69391 -18.89522 -2.29815 Infinity 0.707876 Infinity
14210
441 pt -2.03095 -19.88416 -1.23801 Infinity 0.679129 Infinity
14211
442 pt -2.83509 -13.97797 -2.79862 -Infinity 0.897059 -Infinity
14212
443 pt -1.49241 -13.11309 -3.80870 Infinity 0.941188 Infinity
14213
444 pt -2.12830 -15.55071 -2.02533 Infinity 0.830335 Infinity
14214
445 pt -0.17212 -10.23512 4.23727 -Infinity 1.076314 -Infinity
14215
446 pt 1.57479 -10.29570 3.51915 Infinity 1.077942 Infinity
14216
447 pt -1.26927 -9.15872 3.13786 Infinity 1.186129 Infinity
14217
448 pt -6.12881 -10.84941 -0.06946 -Infinity 1.031750 -Infinity
14218
449 pt -4.94119 -12.04281 -0.92762 Infinity 0.984533 Infinity
14219
450 pt -5.18634 -9.30526 0.47683 Infinity 1.160527 Infinity
14220
451 pt 7.76587 -7.18949 4.61040 -Infinity 1.079903 -Infinity
14221
452 pt 9.38295 -7.68425 3.76699 Infinity 1.009863 Infinity
14222
453 pt 8.12032 -6.64740 6.38567 Infinity 1.038757 Infinity
14223
454 pt 17.83888 -21.01195 -0.73843 -Infinity 0.520121 -Infinity
14224
455 pt 16.80782 -21.52340 0.76037 Infinity 0.522370 Infinity
14225
456 pt 17.74481 -19.13750 -0.95903 Infinity 0.547545 Infinity
14226
457 pt 10.07091 -19.79999 0.44173 -Infinity 0.620400 -Infinity
14227
458 pt 8.83641 -20.63468 1.60379 Infinity 0.611328 Infinity
14228
459 pt 11.72870 -19.59366 1.32504 Infinity 0.606099 Infinity
14229
460 pt 17.98757 -20.08073 -6.03316 -Infinity 0.524277 -Infinity
14230
461 pt 16.66585 -20.87587 -7.12489 Infinity 0.523380 Infinity
14231
462 pt 17.82063 -20.72971 -4.26624 Infinity 0.521317 Infinity
14232
463 pt 16.77542 -16.03419 -1.64681 -Infinity 0.609983 -Infinity
14233
464 pt 16.47151 -16.29732 -3.49328 Infinity 0.607520 Infinity
14234
465 pt 15.31657 -15.09788 -0.89440 Infinity 0.651336 Infinity
14235
466 pt 21.35337 -8.75199 2.25169 -Infinity 0.630583 -Infinity
14236
467 pt 20.93489 -10.03359 0.92752 Infinity 0.626510 Infinity
14237
468 pt 20.19563 -7.26813 2.08184 Infinity 0.676908 Infinity
14238
469 pt 20.71889 -12.57716 -1.40569 -Infinity 0.598200 -Infinity
14239
470 pt 19.86508 -11.24471 -2.43848 Infinity 0.632385 Infinity
14240
471 pt 19.53435 -14.02547 -1.14048 Infinity 0.598125 Infinity
14241
472 pt 8.75085 -8.62873 -5.08564 -Infinity 1.003208 -Infinity
14242
473 pt 7.48728 -9.63930 -4.10933 Infinity 1.008983 Infinity
14243
474 pt 7.93409 -7.92864 -6.63930 Infinity 1.036848 Infinity
14244
475 pt 13.08369 -11.32582 -4.44238 -Infinity 0.778862 -Infinity
14245
476 pt 11.55386 -10.28219 -4.81861 Infinity 0.848818 Infinity
14246
477 pt 12.89102 -12.13986 -2.74790 Infinity 0.768679 Infinity
14247
478 pt 12.69860 -8.82522 2.88448 -Infinity 0.858934 -Infinity
14248
479 pt 13.18547 -8.66098 4.70300 Infinity 0.827765 Infinity
14249
480 pt 13.06556 -7.20474 1.98423 Infinity 0.904965 Infinity
14250
481 pt 7.36721 -16.67962 -2.84939 -Infinity 0.730619 -Infinity
14251
482 pt 5.80780 -17.68138 -3.21786 Infinity 0.715303 Infinity
14252
483 pt 8.43284 -17.60928 -1.59590 Infinity 0.692862 Infinity
14253
484 pt 17.75984 -9.22630 -3.76179 -Infinity 0.709832 -Infinity
14254
485 pt 16.06501 -10.02631 -4.00392 Infinity 0.736641 Infinity
14255
486 pt 17.67783 -7.40820 -4.27057 Infinity 0.742449 Infinity
14256
487 pt 10.41893 -17.56461 -7.19963 -Infinity 0.648681 -Infinity
14257
488 pt 11.16534 -19.14737 -6.48631 Infinity 0.610614 Infinity
14258
489 pt 9.21864 -16.81336 -5.94824 Infinity 0.689509 Infinity
14259
490 pt 14.38783 -19.25403 3.15848 -Infinity 0.578255 -Infinity
14260
491 pt 15.53902 -17.75700 3.08970 Infinity 0.590408 Infinity
14261
492 pt 14.13487 -19.77329 4.95777 Infinity 0.565493 Infinity
14262
493 pt 12.70395 -13.36258 0.30636 -Infinity 0.740100 -Infinity
14263
494 pt 11.22990 -14.37822 0.91193 Infinity 0.739490 Infinity
14264
495 pt 12.80415 -11.74984 1.28620 Infinity 0.779438 Infinity
14265
496 pt -21.21177 -2.74352 -5.23845 -Infinity 0.728835 -Infinity
14266
497 pt -20.62476 -1.83661 -6.78894 Infinity 0.743710 Infinity
14267
498 pt -22.97511 -3.36934 -5.50310 Infinity 0.671034 Infinity
14268
499 pt -9.82237 2.07312 -3.93727 -Infinity 1.648135 -Infinity
14269
500 pt -11.01956 2.75679 -5.22971 Infinity 1.426820 Infinity
14270
501 pt -8.05344 2.54881 -4.40167 Infinity 1.960510 Infinity
14271
502 pt -7.84173 2.66253 6.20742 -Infinity 1.551372 -Infinity
14272
503 pt -6.93558 2.18114 4.62053 Infinity 1.858489 Infinity
14273
504 pt -9.69658 2.77737 5.86477 Infinity 1.396101 Infinity
14274
505 pt -15.02455 -3.39123 -0.90352 -Infinity 1.000996 -Infinity
14275
506 pt -15.72489 -4.71163 0.25282 Infinity 0.926475 Infinity
14276
507 pt -15.44505 -3.83182 -2.69241 Infinity 0.961548 Infinity
14277
508 pt -15.66201 5.16401 -2.15399 -Infinity 1.054379 -Infinity
14278
509 pt -17.37758 4.68697 -2.78669 Infinity 0.947014 Infinity
14279
510 pt -14.89414 3.69607 -1.24481 Infinity 1.121114 Infinity
14280
511 pt -13.07787 1.29958 0.05321 -Infinity 1.261686 -Infinity
14281
512 pt -11.72322 1.54478 -1.24134 Infinity 1.423250 Infinity
14282
513 pt -13.91130 -0.37508 -0.21509 Infinity 1.154154 Infinity
14283
514 pt -13.04265 2.70866 5.09844 -Infinity 1.150966 -Infinity
14284
515 pt -13.00606 2.23875 3.26843 Infinity 1.213948 Infinity
14285
516 pt -14.21246 1.54883 6.02440 Infinity 1.034049 Infinity
14286
517 pt -20.06184 3.36761 -3.83544 -Infinity 0.814019 -Infinity
14287
518 pt -21.27056 3.45177 -5.28560 Infinity 0.758340 Infinity
14288
519 pt -20.58931 1.99070 -2.65351 Infinity 0.795693 Infinity
14289
520 pt -10.48388 -4.41557 1.33638 -Infinity 1.241296 -Infinity
14290
521 pt -12.10646 -4.03129 0.44720 Infinity 1.156886 Infinity
14291
522 pt -9.03437 -3.76454 0.31357 Infinity 1.427911 Infinity
14292
523 pt -13.47419 4.66650 -6.82695 -Infinity 1.131346 -Infinity
14293
524 pt -14.38481 4.95985 -5.19730 Infinity 1.107344 Infinity
14294
525 pt -14.72487 4.26204 -8.18463 Infinity 1.010543 Infinity
14295
526 pt -16.69780 -5.62433 -5.35650 -Infinity 0.841327 -Infinity
14296
527 pt -18.39320 -4.79024 -5.38777 Infinity 0.795236 Infinity
14297
528 pt -15.56953 -4.80835 -6.63410 Infinity 0.887677 Infinity
14298
529 pt -10.19211 -6.99024 5.65676 -Infinity 1.014433 -Infinity
14299
530 pt -10.38534 -6.03807 4.03592 Infinity 1.094500 Infinity
14300
531 pt -8.51457 -6.58843 6.42843 Infinity 1.073138 Infinity
14301
532 pt 5.52739 2.65014 -4.06067 -Infinity 2.354866 -Infinity
14302
533 pt 6.35189 3.17834 -2.44442 Infinity 2.303463 Infinity
14303
534 pt 5.39335 4.13909 -5.21659 Infinity 2.230309 Infinity
14304
535 pt -1.60006 -3.19207 4.38460 -Infinity 1.816028 -Infinity
14305
536 pt -1.72760 -1.30796 4.45477 Infinity 2.126709 Infinity
14306
537 pt 0.21918 -3.69937 4.32058 Infinity 1.743741 Infinity
14307
538 pt -4.89816 3.24662 -4.94568 -Infinity 2.767483 -Infinity
14308
539 pt -5.04725 5.07100 -5.41524 Infinity 2.484092 Infinity
14309
540 pt -3.65265 3.05738 -3.53716 Infinity 4.120583 Infinity
14310
541 pt 0.58719 1.91585 5.69950 -Infinity 2.237362 -Infinity
14311
542 pt 0.32007 3.74585 6.08784 Infinity 2.193971 Infinity
14312
543 pt 2.28298 1.68168 4.89917 Infinity 2.306705 Infinity
14313
544 pt -3.04632 -6.84228 1.07758 -Infinity 1.460604 -Infinity
14314
545 pt -2.80694 -6.13150 -0.65694 Infinity 1.599123 Infinity
14315
546 pt -2.69088 -5.50324 2.36276 Infinity 1.604922 Infinity
14316
547 pt -7.05566 -2.18750 -1.77846 -Infinity 1.862883 -Infinity
14317
548 pt -7.91461 -1.08958 -3.05433 Infinity 1.817288 Infinity
14318
549 pt -5.46256 -2.88562 -2.51720 Infinity 1.961468 Infinity
14319
550 pt -2.43542 -4.22657 -3.42350 -Infinity 1.903392 -Infinity
14320
551 pt -2.14845 -5.47042 -4.81691 Infinity 1.603020 Infinity
14321
552 pt -1.03105 -2.96224 -3.40722 Infinity 2.267615 Infinity
14322
553 pt -5.62529 6.77306 1.45769 -Infinity 2.445398 -Infinity
14323
554 pt -6.71581 7.49059 0.09131 Infinity 2.158427 Infinity
14324
555 pt -5.83183 4.89536 1.50909 Infinity 2.683070 Infinity
14325
556 pt -5.66809 1.48065 1.69980 -Infinity 2.661963 -Infinity
14326
557 pt -3.99863 1.86186 0.90064 Infinity 3.922931 Infinity
14327
558 pt -6.52088 0.08948 0.74667 Infinity 2.297625 Infinity
14328
559 pt 1.94019 -1.34692 -4.30056 -Infinity 2.431612 -Infinity
14329
560 pt 3.24986 -0.00536 -4.06387 Infinity 2.588981 Infinity
14330
561 pt 2.26627 -2.26869 -5.91768 Infinity 1.939746 Infinity
14331
562 pt 5.34756 1.04922 3.70825 -Infinity 1.999948 -Infinity
14332
563 pt 5.98976 2.14259 2.30711 Infinity 2.152745 Infinity
14333
564 pt 6.65080 0.94144 5.07243 Infinity 1.629297 Infinity
14334
565 pt 3.61036 -3.88119 4.41975 -Infinity 1.561156 -Infinity
14335
566 pt 4.99801 -5.15308 4.25310 Infinity 1.364831 Infinity
14336
567 pt 4.23672 -2.18743 3.86304 Infinity 1.765805 Infinity
14337
568 pt 16.55098 -4.56507 -5.66568 -Infinity 0.820224 -Infinity
14338
569 pt 16.10202 -5.29853 -7.34840 Infinity 0.803542 Infinity
14339
570 pt 14.97081 -4.12486 -4.72740 Infinity 0.902499 Infinity
14340
571 pt 12.32977 3.20161 -0.44966 -Infinity 1.247966 -Infinity
14341
572 pt 12.49386 2.07325 1.05731 Infinity 1.208305 Infinity
14342
573 pt 14.03885 3.51421 -1.19289 Infinity 1.102344 Infinity
14343
574 pt 12.85311 0.36469 3.80632 -Infinity 1.096543 -Infinity
14344
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14345
576 pt 14.32255 1.40539 4.37966 Infinity 1.003290 Infinity
14346
577 pt 16.39471 3.96915 5.44334 -Infinity 0.883914 -Infinity
14347
578 pt 15.99966 5.80753 5.25526 Infinity 0.899511 Infinity
14348
579 pt 16.08589 3.43703 7.23011 Infinity 0.862705 Infinity
14349
580 pt 21.27508 3.59124 3.64663 -Infinity 0.718151 -Infinity
14350
581 pt 19.48454 3.60088 4.25074 Infinity 0.773792 Infinity
14351
582 pt 21.52872 2.15274 2.44769 Infinity 0.715562 Infinity
14352
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14353
584 pt 18.23169 2.11593 -1.20590 Infinity 0.851504 Infinity
14354
585 pt 17.41559 3.28798 -3.94215 Infinity 0.882072 Infinity
14355
586 pt 18.49154 -4.12954 2.42115 -Infinity 0.767808 -Infinity
14356
587 pt 16.73926 -4.20485 1.71767 Infinity 0.834573 Infinity
14357
588 pt 18.41251 -4.09154 4.30884 Infinity 0.756432 Infinity
14358
589 pt 7.53357 4.48700 0.40331 -Infinity 1.972204 -Infinity
14359
590 pt 7.59406 6.06610 1.43957 Infinity 1.836245 Infinity
14360
591 pt 9.29019 3.97393 -0.06797 Infinity 1.635680 Infinity
14361
592 pt 20.65249 -0.46879 -0.62065 -Infinity 0.742016 -Infinity
14362
593 pt 21.10072 -1.36664 -2.22190 Infinity 0.720144 Infinity
14363
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14364
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14365
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14366
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14367
598 pt 9.09712 -0.64342 -6.27013 -Infinity 1.359415 -Infinity
14368
599 pt 7.84480 0.56109 -5.52720 Infinity 1.602244 Infinity
14369
600 pt 9.85212 0.11294 -7.82864 Infinity 1.241334 Infinity
14370
601 pt 11.56978 -4.32771 -3.74550 -Infinity 1.084049 -Infinity
14371
602 pt 10.70353 -2.87589 -4.58982 Infinity 1.186961 Infinity
14372
603 pt 10.59355 -5.91475 -4.06068 Infinity 1.066268 Infinity
14373
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14374
605 pt -15.47905 14.28180 1.41616 Infinity 0.862854 Infinity
14375
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14376
607 pt -12.43164 7.91277 5.06406 -Infinity 1.139239 -Infinity
14377
608 pt -12.77931 6.05652 5.13127 Infinity 1.150792 Infinity
14378
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14379
610 pt -20.46172 8.37994 1.57158 -Infinity 0.775890 -Infinity
14380
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14381
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14382
613 pt -10.86252 18.03317 4.58925 -Infinity 0.857171 -Infinity
14383
614 pt -11.65106 19.20654 5.84323 Infinity 0.784165 Infinity
14384
615 pt -12.20393 16.96664 3.79287 Infinity 0.868165 Infinity
14385
616 pt -7.62740 9.69343 5.20697 -Infinity 1.414707 -Infinity
14386
617 pt -9.43537 9.14434 5.23531 Infinity 1.305440 Infinity
14387
618 pt -6.70486 8.75718 3.84924 Infinity 1.687476 Infinity
14388
619 pt -7.64291 14.62145 6.82715 -Infinity 1.041518 -Infinity
14389
620 pt -8.81645 15.74988 5.86771 Infinity 0.981209 Infinity
14390
621 pt -7.64061 12.90155 6.04421 Infinity 1.163339 Infinity
14391
622 pt -20.78294 18.64520 -0.96947 -Infinity 0.634247 -Infinity
14392
623 pt -22.28422 19.79280 -0.95368 Infinity 0.590074 Infinity
14393
624 pt -20.09737 18.47897 0.78365 Infinity 0.649069 Infinity
14394
625 pt -18.03112 12.78641 -0.37097 -Infinity 0.809665 -Infinity
14395
626 pt -18.79751 11.19561 0.30214 Infinity 0.807926 Infinity
14396
627 pt -19.39699 14.04201 -0.73004 Infinity 0.742393 Infinity
14397
628 pt -19.67270 18.34853 4.18051 -Infinity 0.646964 -Infinity
14398
629 pt -19.07920 19.95699 4.97529 Infinity 0.628287 Infinity
14399
630 pt -18.93722 16.87665 5.10988 Infinity 0.680187 Infinity
14400
631 pt -7.81311 14.55523 -7.57306 -Infinity 1.087830 -Infinity
14401
632 pt -7.71574 15.21060 -5.80329 Infinity 1.104172 Infinity
14402
633 pt -9.55635 13.90899 -7.91156 Infinity 1.043054 Infinity
14403
634 pt -12.91456 19.83861 -2.99530 -Infinity 0.779144 -Infinity
14404
635 pt -14.66100 20.20464 -3.61741 Infinity 0.728322 Infinity
14405
636 pt -12.10812 21.44060 -2.40003 Infinity 0.749942 Infinity
14406
637 pt -8.87660 13.43908 0.41734 -Infinity 1.227571 -Infinity
14407
638 pt -10.53234 13.62315 1.30936 Infinity 1.111827 Infinity
14408
639 pt -8.81468 11.76606 -0.45916 Infinity 1.368893 Infinity
14409
640 pt -13.92409 9.28422 0.20929 -Infinity 1.097607 -Infinity
14410
641 pt -15.16856 10.67930 -0.06661 Infinity 0.983377 Infinity
14411
642 pt -14.55155 7.70598 -0.61928 Infinity 1.098363 Infinity
14412
643 pt -8.63770 8.92541 -2.02872 -Infinity 1.640250 -Infinity
14413
644 pt -10.49534 8.60675 -2.16548 Infinity 1.430395 Infinity
14414
645 pt -7.82586 8.65765 -3.71404 Infinity 1.724490 Infinity
14415
646 pt -8.36052 17.33965 -2.88366 -Infinity 1.002562 -Infinity
14416
647 pt -8.42221 15.95092 -1.60355 Infinity 1.087490 Infinity
14417
648 pt -10.04042 18.20164 -2.96091 Infinity 0.911085 Infinity
14418
649 pt -17.64137 21.10222 -4.49208 -Infinity 0.647171 -Infinity
14419
650 pt -17.92011 22.97115 -4.47104 Infinity 0.609247 Infinity
14420
651 pt -18.78690 20.27925 -3.23447 Infinity 0.644442 Infinity
14421
652 pt -14.54628 14.75833 -4.13210 -Infinity 0.880068 -Infinity
14422
653 pt -14.06086 16.47714 -3.51474 Infinity 0.848732 Infinity
14423
654 pt -15.86953 14.03038 -2.99625 Infinity 0.858092 Infinity
14424
655 pt -1.04546 8.94451 2.24418 -Infinity 2.482984 -Infinity
14425
656 pt -2.65254 8.05184 1.80657 Infinity 2.723684 Infinity
14426
657 pt -0.44646 8.36962 3.94175 Infinity 2.277345 Infinity
14427
658 pt 5.16508 13.32438 6.05088 -Infinity 1.201583 -Infinity
14428
659 pt 7.05450 13.29983 6.07490 Infinity 1.126534 Infinity
14429
660 pt 4.50188 12.01580 7.24203 Infinity 1.244992 Infinity
14430
661 pt 1.96912 11.73596 -0.97360 -Infinity 1.882735 -Infinity
14431
662 pt 1.09759 10.57930 0.24033 Infinity 2.188317 Infinity
14432
663 pt 3.83434 11.67275 -0.67690 Infinity 1.753814 Infinity
14433
664 pt 0.76237 12.80548 -5.83943 -Infinity 1.531598 -Infinity
14434
665 pt 1.04281 12.24137 -4.05780 Infinity 1.725432 Infinity
14435
666 pt 2.40941 12.81194 -6.76587 Infinity 1.429365 Infinity
14436
667 pt 0.15044 17.50833 -3.76898 -Infinity 1.126814 -Infinity
14437
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14438
669 pt 0.21618 15.73011 -4.40512 Infinity 1.268190 Infinity
14439
670 pt -3.54352 13.76947 1.45806 -Infinity 1.456693 -Infinity
14440
671 pt -2.76164 12.05159 1.55085 Infinity 1.734597 Infinity
14441
672 pt -5.38998 13.60335 1.09191 Infinity 1.402766 Infinity
14442
673 pt 2.22953 15.85317 2.70725 -Infinity 1.218764 -Infinity
14443
674 pt 1.35281 14.64549 1.54796 Infinity 1.387842 Infinity
14444
675 pt 3.30635 14.88966 3.92511 Infinity 1.237486 Infinity
14445
676 pt 2.11674 20.02869 5.67852 -Infinity 0.890240 -Infinity
14446
677 pt 1.23598 19.78645 7.33280 Infinity 0.872142 Infinity
14447
678 pt 1.84612 18.50721 4.59089 Infinity 0.991329 Infinity
14448
679 pt -6.69652 19.79346 -7.29386 -Infinity 0.867695 -Infinity
14449
680 pt -6.97568 19.52569 -5.44415 Infinity 0.900824 Infinity
14450
681 pt -7.32302 18.28918 -8.25078 Infinity 0.902250 Infinity
14451
682 pt -3.80635 20.07667 -1.62084 -Infinity 0.949861 -Infinity
14452
683 pt -2.40325 18.98149 -2.25564 Infinity 1.027343 Infinity
14453
684 pt -5.40968 19.07810 -1.56368 Infinity 0.982833 Infinity
14454
685 pt 7.18683 20.32979 4.21067 -Infinity 0.835634 -Infinity
14455
686 pt 5.40854 20.09762 4.80634 Infinity 0.865548 Infinity
14456
687 pt 7.75818 18.77139 3.30733 Infinity 0.898656 Infinity
14457
688 pt 4.39482 18.66950 -1.00442 -Infinity 1.010294 -Infinity
14458
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14459
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14460
691 pt -5.81876 7.99781 -6.42792 -Infinity 1.826822 -Infinity
14461
692 pt -4.63188 9.19518 -7.28155 Infinity 1.708531 Infinity
14462
693 pt -7.52198 8.11249 -7.23845 Infinity 1.542322 Infinity
14463
694 pt 5.30559 7.12031 -6.74311 -Infinity 1.824652 -Infinity
14464
695 pt 6.93611 7.44340 -7.64204 Infinity 1.511988 Infinity
14465
696 pt 4.65079 8.73982 -6.02235 Infinity 1.837097 Infinity
14466
697 pt -3.27421 16.92806 5.59097 -Infinity 1.052376 -Infinity
14467
698 pt -2.79937 16.12480 3.94769 Infinity 1.164466 Infinity
14468
699 pt -4.83246 16.10227 6.26993 Infinity 1.054053 Infinity
14469
700 pt 10.51248 12.75893 5.91032 -Infinity 1.006241 -Infinity
14470
701 pt 11.46401 14.06131 4.92570 Infinity 0.943928 Infinity
14471
702 pt 11.55858 12.18785 7.37682 Infinity 0.940161 Infinity
14472
703 pt 21.02074 11.18789 5.73530 -Infinity 0.672434 -Infinity
14473
704 pt 21.66297 9.94320 4.46670 Infinity 0.675367 Infinity
14474
705 pt 20.70567 10.30881 7.37817 Infinity 0.672887 Infinity
14475
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14476
707 pt 11.48668 8.96435 -4.42507 Infinity 1.186706 Infinity
14477
708 pt 12.62684 10.70719 -2.14706 Infinity 1.073960 Infinity
14478
709 pt 16.06061 9.92000 4.83481 -Infinity 0.857907 -Infinity
14479
710 pt 17.84160 10.54772 4.90630 Infinity 0.781416 Infinity
14480
711 pt 15.21809 10.22141 6.49926 Infinity 0.858755 Infinity
14481
712 pt 17.75792 17.66393 4.65602 -Infinity 0.674469 -Infinity
14482
713 pt 17.42672 18.04202 6.47767 Infinity 0.660998 Infinity
14483
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14484
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14485
716 pt 14.76780 16.76149 -1.59974 Infinity 0.795102 Infinity
14486
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14487
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14488
719 pt 15.34080 16.47475 2.74909 Infinity 0.771728 Infinity
14489
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14490
721 pt 18.99371 8.50352 -2.41117 -Infinity 0.795406 -Infinity
14491
722 pt 19.44915 9.04610 -4.16310 Infinity 0.766244 Infinity
14492
723 pt 18.42888 6.70035 -2.43589 Infinity 0.833182 Infinity
14493
724 pt 8.85095 16.48082 0.99141 -Infinity 0.999162 -Infinity
14494
725 pt 10.73545 16.40647 1.11062 Infinity 0.933772 Infinity
14495
726 pt 8.17348 14.75557 0.62316 Infinity 1.127973 Infinity
14496
727 pt 7.14384 11.58929 -0.29710 -Infinity 1.454052 -Infinity
14497
728 pt 7.40501 10.45317 1.19022 Infinity 1.506711 Infinity
14498
729 pt 8.46422 11.23450 -1.60162 Infinity 1.367679 Infinity
14499
730 pt 19.81226 16.06568 -5.07812 -Infinity 0.662891 -Infinity
14500
731 pt 20.03935 16.89810 -6.75936 Infinity 0.637612 Infinity
14501
732 pt 20.82779 16.98519 -3.77648 Infinity 0.632484 Infinity
14502
733 pt 11.45763 14.85064 -6.33230 -Infinity 0.930649 -Infinity
14503
734 pt 11.11920 13.25385 -5.38005 Infinity 1.022343 Infinity
14504
735 pt 12.79667 15.84401 -5.44277 Infinity 0.862477 Infinity
14505
736 pt 12.05187 21.30956 -4.22414 -Infinity 0.730360 -Infinity
14506
737 pt 11.29608 21.78184 -2.55777 Infinity 0.737353 Infinity
14507
738 pt 13.19791 19.82400 -3.99882 Infinity 0.747612 Infinity
14508
739 pt 8.22931 8.58297 3.72200 -Infinity 1.445869 -Infinity
14509
740 pt 9.25767 10.05863 4.30165 Infinity 1.247994 Infinity
14510
741 pt 7.92216 7.41735 5.17736 Infinity 1.440287 Infinity
14511
742 pt 15.15190 10.95722 -0.04347 -Infinity 0.926281 -Infinity
14512
743 pt 15.25739 10.37302 1.75059 Infinity 0.923034 Infinity
14513
744 pt 16.58026 10.21532 -1.03363 Infinity 0.875683 Infinity
14514
745 pt -17.86368 -6.72740 21.14777 -Infinity 0.533445 -Infinity
14515
746 pt -17.49532 -7.28540 22.91525 Infinity 0.510921 Infinity
14516
747 pt -17.77188 -8.21399 19.98472 Infinity 0.539699 Infinity
14517
748 pt -17.83775 -10.42268 17.78667 -Infinity 0.548714 -Infinity
14518
749 pt -17.79933 -10.25219 15.90505 Infinity 0.574166 Infinity
14519
750 pt -16.96419 -12.01990 18.29345 Infinity 0.537022 Infinity
14520
751 pt -13.40370 -15.47949 10.67091 -Infinity 0.619867 -Infinity
14521
752 pt -13.53831 -13.67009 11.19913 Infinity 0.644371 Infinity
14522
753 pt -12.62791 -15.57852 8.95061 Infinity 0.646099 Infinity
14523
754 pt -9.03126 -8.80730 21.17834 -Infinity 0.595739 -Infinity
14524
755 pt -8.72983 -7.03534 21.76174 Infinity 0.603940 Infinity
14525
756 pt -7.41888 -9.78767 21.27921 Infinity 0.593598 Infinity
14526
757 pt -10.10062 -18.37840 13.55774 -Infinity 0.569884 -Infinity
14527
758 pt -11.10068 -17.13022 12.55127 Infinity 0.593676 Infinity
14528
759 pt -9.06126 -19.44149 12.39128 Infinity 0.571163 Infinity
14529
760 pt -7.73996 -19.83490 18.06084 -Infinity 0.514397 -Infinity
14530
761 pt -8.67690 -21.45781 18.30453 Infinity 0.489164 Infinity
14531
762 pt -8.39471 -18.95314 16.52303 Infinity 0.539322 Infinity
14532
763 pt -18.52992 -9.50266 12.70861 -Infinity 0.612083 -Infinity
14533
764 pt -16.76597 -9.99740 12.24516 Infinity 0.640636 Infinity
14534
765 pt -18.70051 -7.62252 12.62492 Infinity 0.631766 Infinity
14535
766 pt -12.62201 -21.03710 7.79151 -Infinity 0.555095 -Infinity
14536
767 pt -11.96667 -19.32979 7.31540 Infinity 0.593845 Infinity
14537
768 pt -14.49803 -21.07770 7.56796 Infinity 0.540140 Infinity
14538
769 pt -13.47260 -10.58725 12.60295 -Infinity 0.679599 -Infinity
14539
770 pt -12.33099 -9.39951 11.67717 Infinity 0.738548 Infinity
14540
771 pt -12.78421 -10.90334 14.33421 Infinity 0.655011 Infinity
14541
772 pt -13.66249 -21.06408 16.07793 -Infinity 0.488188 -Infinity
14542
773 pt -12.58927 -22.13041 17.21029 Infinity 0.473619 Infinity
14543
774 pt -12.56383 -19.87414 15.10426 Infinity 0.517252 Infinity
14544
775 pt -11.49719 -11.71175 17.27747 -Infinity 0.608768 -Infinity
14545
776 pt -11.11699 -10.47761 18.65711 Infinity 0.605171 Infinity
14546
777 pt -9.88753 -12.49065 16.66642 Infinity 0.622464 Infinity
14547
778 pt 1.81060 -6.67089 19.22980 -Infinity 0.698652 -Infinity
14548
779 pt 1.31046 -7.67126 20.75302 Infinity 0.648848 Infinity
14549
780 pt 1.02902 -7.43528 17.68840 Infinity 0.732247 Infinity
14550
781 pt 7.20435 -8.05429 13.79590 -Infinity 0.782223 -Infinity
14551
782 pt 6.62344 -6.57519 14.81859 Infinity 0.791361 Infinity
14552
783 pt 5.73906 -8.78191 12.85008 Infinity 0.812101 Infinity
14553
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14554
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14555
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14556
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14557
788 pt -0.84936 -18.80562 12.82841 Infinity 0.606222 Infinity
14558
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14559
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14560
791 pt -6.56356 -10.89038 15.34192 Infinity 0.704447 Infinity
14561
792 pt -5.33477 -13.15273 17.04445 Infinity 0.636258 Infinity
14562
793 pt 4.18349 -17.03332 10.04953 -Infinity 0.668046 -Infinity
14563
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14564
795 pt 3.15166 -15.97281 8.87406 Infinity 0.717377 Infinity
14565
796 pt -6.54504 -7.68306 14.28458 -Infinity 0.800703 -Infinity
14566
797 pt -5.80651 -8.26282 12.64461 Infinity 0.847132 Infinity
14567
798 pt -5.50130 -6.27068 14.98234 Infinity 0.820625 Infinity
14568
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14569
800 pt -0.12634 -21.20715 17.82002 Infinity 0.512708 Infinity
14570
801 pt 1.78201 -19.93944 15.75172 Infinity 0.550704 Infinity
14571
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14572
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14573
804 pt 1.76467 -8.94632 12.58521 Infinity 0.854467 Infinity
14574
805 pt -3.70745 -16.64423 13.77095 -Infinity 0.631990 -Infinity
14575
806 pt -5.19638 -15.55738 14.18679 Infinity 0.641533 Infinity
14576
807 pt -3.57428 -16.84157 11.89628 Infinity 0.655383 Infinity
14577
808 pt -3.06808 -17.24965 8.86368 -Infinity 0.688114 -Infinity
14578
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14579
810 pt -3.78968 -18.54571 7.69296 Infinity 0.665186 Infinity
14580
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14581
812 pt -1.75240 -8.84527 13.47426 Infinity 0.833074 Infinity
14582
813 pt -1.42399 -6.14833 14.93898 Infinity 0.851410 Infinity
14583
814 pt -2.77863 -14.83546 18.63298 -Infinity 0.590524 -Infinity
14584
815 pt -2.74440 -15.72081 16.96384 Infinity 0.602856 Infinity
14585
816 pt -1.77459 -15.82401 19.89225 Infinity 0.558942 Infinity
14586
817 pt 5.72332 -20.72127 20.64064 -Infinity 0.481536 -Infinity
14587
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14588
819 pt 4.47252 -20.44877 19.25056 Infinity 0.501409 Infinity
14589
820 pt -3.87573 -9.25133 10.15272 -Infinity 0.919676 -Infinity
14590
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14591
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14592
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14593
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14594
825 pt 9.22201 -10.11823 18.97941 Infinity 0.610393 Infinity
14595
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14596
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14597
828 pt 16.83833 -10.08107 12.88760 Infinity 0.611167 Infinity
14598
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14599
830 pt 13.83043 -14.08908 16.08822 Infinity 0.560219 Infinity
14600
831 pt 12.48819 -11.85440 17.74090 Infinity 0.578810 Infinity
14601
832 pt 19.65289 -11.14102 14.31440 -Infinity 0.544625 -Infinity
14602
833 pt 19.20178 -10.54847 16.05119 Infinity 0.538031 Infinity
14603
834 pt 21.35989 -10.47962 13.84560 Infinity 0.532898 Infinity
14604
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14605
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14606
837 pt 11.82781 -19.27035 8.23457 Infinity 0.578474 Infinity
14607
838 pt 12.96202 -14.11221 12.55142 -Infinity 0.611981 -Infinity
14608
839 pt 11.07579 -14.21068 12.49221 Infinity 0.633399 Infinity
14609
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14610
841 pt 20.72502 -13.85279 9.48198 -Infinity 0.542520 -Infinity
14611
842 pt 20.72055 -12.68173 10.96511 Infinity 0.544513 Infinity
14612
843 pt 21.86269 -13.16541 8.13874 Infinity 0.542685 Infinity
14613
844 pt 13.58067 -7.55220 7.80552 -Infinity 0.796213 -Infinity
14614
845 pt 11.96337 -6.70453 8.29220 Infinity 0.853483 Infinity
14615
846 pt 14.27592 -8.48667 9.29363 Infinity 0.734632 Infinity
14616
847 pt 17.00850 -9.18744 18.65707 -Infinity 0.544989 -Infinity
14617
848 pt 16.09019 -10.81679 18.38691 Infinity 0.544183 Infinity
14618
849 pt 16.13605 -8.18695 20.00203 Infinity 0.544866 Infinity
14619
850 pt 10.69448 -18.87820 14.87488 -Infinity 0.536952 -Infinity
14620
851 pt 12.18823 -18.69704 13.73165 Infinity 0.539211 Infinity
14621
852 pt 9.42892 -17.53227 14.47750 Infinity 0.569329 Infinity
14622
853 pt 8.54038 -18.70955 7.59686 -Infinity 0.623916 -Infinity
14623
854 pt 8.14828 -20.18495 6.48307 Infinity 0.604453 Infinity
14624
855 pt 7.01131 -18.26233 8.61323 Infinity 0.636960 Infinity
14625
856 pt 16.92278 -16.89998 10.87389 -Infinity 0.542462 -Infinity
14626
857 pt 18.33712 -15.85175 10.18691 Infinity 0.544519 Infinity
14627
858 pt 15.60623 -15.77012 11.62299 Infinity 0.566019 Infinity
14628
859 pt -14.35787 1.01060 18.28952 -Infinity 0.668879 -Infinity
14629
860 pt -12.58031 0.63086 18.80636 Infinity 0.682945 Infinity
14630
861 pt -15.21831 -0.58863 17.76687 Infinity 0.660224 Infinity
14631
862 pt -10.71732 -4.55711 15.61761 -Infinity 0.755742 -Infinity
14632
863 pt -9.38837 -5.84331 15.22949 Infinity 0.768990 Infinity
14633
864 pt -10.05018 -3.32276 16.88345 Infinity 0.745497 Infinity
14634
865 pt -18.95549 4.15385 8.42967 -Infinity 0.773321 -Infinity
14635
866 pt -17.93013 2.58159 8.64814 Infinity 0.803881 Infinity
14636
867 pt -19.87397 4.08392 6.77965 Infinity 0.768223 Infinity
14637
868 pt -7.52670 5.20022 16.38180 -Infinity 0.846985 -Infinity
14638
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14639
870 pt -7.22662 4.52078 18.11944 Infinity 0.785658 Infinity
14640
871 pt -19.46898 -4.41128 13.56380 -Infinity 0.635015 -Infinity
14641
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14642
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14643
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14644
875 pt -16.14148 -4.92801 18.56520 Infinity 0.604364 Infinity
14645
876 pt -13.86076 -4.37499 16.56040 Infinity 0.681528 Infinity
14646
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14647
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14648
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14649
880 pt -14.77929 5.29642 15.34940 -Infinity 0.734048 -Infinity
14650
881 pt -14.78921 3.83309 16.54508 Infinity 0.706280 Infinity
14651
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14652
883 pt -19.13112 -4.29164 8.40807 -Infinity 0.718958 -Infinity
14653
884 pt -20.80994 -4.58443 7.59142 Infinity 0.682120 Infinity
14654
885 pt -19.34242 -4.24398 10.28534 Infinity 0.687403 Infinity
14655
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14656
887 pt -10.32772 -1.52533 10.61549 Infinity 0.996675 Infinity
14657
888 pt -11.89258 -2.65037 13.02635 Infinity 0.836543 Infinity
14658
889 pt -9.44113 -1.08731 19.32085 -Infinity 0.703445 -Infinity
14659
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14660
891 pt -8.28777 0.39908 19.49829 Infinity 0.719924 Infinity
14661
892 pt -18.77413 7.27244 12.60862 -Infinity 0.693386 -Infinity
14662
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14663
894 pt -18.91657 6.15792 11.08920 Infinity 0.721972 Infinity
14664
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14665
896 pt -12.15385 1.91861 11.51533 Infinity 0.930894 Infinity
14666
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14667
898 pt 5.45114 -4.11504 16.61275 -Infinity 0.790727 -Infinity
14668
899 pt 4.26701 -4.96270 17.81706 Infinity 0.750470 Infinity
14669
900 pt 4.50981 -2.82031 15.60845 Infinity 0.859941 Infinity
14670
901 pt 0.10409 2.35483 19.91382 -Infinity 0.759712 -Infinity
14671
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14672
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14673
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14674
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14675
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14676
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14677
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14678
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14679
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14680
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14681
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14682
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14683
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14684
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14685
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14686
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14687
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14688
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14689
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14690
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14691
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14692
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14693
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14694
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14695
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14696
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14697
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14698
929 pt -5.85159 4.98088 8.00264 Infinity 1.504362 Infinity
14699
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14700
931 pt 5.15096 3.62175 19.56522 -Infinity 0.746639 -Infinity
14701
932 pt 3.39600 2.93911 19.72394 Infinity 0.754684 Infinity
14702
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14703
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14704
935 pt -1.45900 4.50417 14.48440 Infinity 1.022441 Infinity
14705
936 pt -0.36954 2.80484 16.81938 Infinity 0.891723 Infinity
14706
937 pt -6.64425 3.06741 20.98054 -Infinity 0.698460 -Infinity
14707
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14708
939 pt -5.08996 3.77881 21.78624 Infinity 0.685815 Infinity
14709
940 pt -3.54158 6.82065 13.62283 -Infinity 1.040152 -Infinity
14710
941 pt -4.02153 6.90553 11.79704 Infinity 1.160866 Infinity
14711
942 pt -5.07584 6.45005 14.66195 Infinity 0.960613 Infinity
14712
943 pt 15.28954 2.36985 10.19335 -Infinity 0.822751 -Infinity
14713
944 pt 14.41916 3.27122 11.60793 Infinity 0.816562 Infinity
14714
945 pt 15.82135 0.65151 10.77261 Infinity 0.784265 Infinity
14715
946 pt 13.60356 5.48760 20.47039 -Infinity 0.619183 -Infinity
14716
947 pt 15.05713 4.42864 21.05075 Infinity 0.590803 Infinity
14717
948 pt 14.20978 6.75061 19.20218 Infinity 0.633292 Infinity
14718
949 pt 17.83248 -4.42491 7.54907 -Infinity 0.732953 -Infinity
14719
950 pt 17.61321 -3.43547 9.14407 Infinity 0.727634 Infinity
14720
951 pt 16.41987 -5.66854 7.37882 Infinity 0.757971 Infinity
14721
952 pt 20.63972 -5.69244 17.81691 -Infinity 0.535627 -Infinity
14722
953 pt 22.06785 -6.15055 18.96654 Infinity 0.503869 Infinity
14723
954 pt 19.21926 -6.91544 18.05699 Infinity 0.543154 Infinity
14724
955 pt 9.03178 -5.69477 9.46747 -Infinity 0.938906 -Infinity
14725
956 pt 8.50799 -6.82408 10.88922 Infinity 0.874104 Infinity
14726
957 pt 8.73232 -3.89243 9.95014 Infinity 0.983522 Infinity
14727
958 pt 8.08021 -1.06663 11.74698 -Infinity 0.990143 -Infinity
14728
959 pt 9.12325 -1.17998 13.31869 Infinity 0.888879 Infinity
14729
960 pt 6.27345 -0.76191 12.20937 Infinity 1.026965 Infinity
14730
961 pt 7.59027 6.14261 8.18668 -Infinity 1.275201 -Infinity
14731
962 pt 5.89005 6.69736 8.79705 Infinity 1.315324 Infinity
14732
963 pt 8.92505 6.80632 9.34811 Infinity 1.110651 Infinity
14733
964 pt 16.80376 -2.32912 12.31045 -Infinity 0.704933 -Infinity
14734
965 pt 15.60889 -3.45022 13.25197 Infinity 0.704288 Infinity
14735
966 pt 18.35499 -2.04460 13.35152 Infinity 0.654874 Infinity
14736
967 pt 10.05784 -1.84146 16.49902 -Infinity 0.753010 -Infinity
14737
968 pt 10.18835 -0.51533 17.83895 Infinity 0.722525 Infinity
14738
969 pt 8.44494 -2.80179 16.71672 Infinity 0.763476 Infinity
14739
970 pt 9.02813 1.27670 7.27225 -Infinity 1.240838 -Infinity
14740
971 pt 8.88813 0.32546 8.89909 Infinity 1.133711 Infinity
14741
972 pt 8.66397 3.10572 7.57746 Infinity 1.268490 Infinity
14742
973 pt 10.01206 1.83638 20.06945 -Infinity 0.674883 -Infinity
14743
974 pt 8.23301 2.46527 19.96682 Infinity 0.700546 Infinity
14744
975 pt 11.18350 3.29650 20.32800 Infinity 0.655422 Infinity
14745
976 pt 13.02417 4.68104 14.39937 -Infinity 0.776944 -Infinity
14746
977 pt 14.17957 5.93934 15.20732 Infinity 0.725347 Infinity
14747
978 pt 12.54695 3.35996 15.66352 Infinity 0.753142 Infinity
14748
979 pt 20.48377 -0.73546 19.46276 -Infinity 0.538584 -Infinity
14749
980 pt 21.58447 -0.96895 20.98099 Infinity 0.506771 Infinity
14750
981 pt 20.28909 -2.38668 18.56463 Infinity 0.547024 Infinity
14751
982 pt 13.50885 -5.46811 15.27662 -Infinity 0.683592 -Infinity
14752
983 pt 13.04466 -6.89550 16.42472 Infinity 0.652113 Infinity
14753
984 pt 12.36489 -3.99948 15.60149 Infinity 0.713298 Infinity
14754
985 pt -8.55977 13.14482 11.60943 -Infinity 0.897716 -Infinity
14755
986 pt -9.33515 11.43107 11.42803 Infinity 0.929801 Infinity
14756
987 pt -8.19325 13.85594 9.89740 Infinity 0.946736 Infinity
14757
988 pt -10.43540 18.37426 18.47158 -Infinity 0.604940 -Infinity
14758
989 pt -10.09194 17.95508 20.28193 Infinity 0.582429 Infinity
14759
990 pt -10.76313 16.78285 17.50666 Infinity 0.640095 Infinity
14760
991 pt -11.44291 8.86345 17.26625 -Infinity 0.727555 -Infinity
14761
992 pt -12.84567 7.74340 16.67563 Infinity 0.727254 Infinity
14762
993 pt -11.11900 8.55420 19.10214 Infinity 0.685829 Infinity
14763
994 pt -11.82220 13.92481 15.61236 -Infinity 0.706150 -Infinity
14764
995 pt -11.79540 12.21857 16.42421 Infinity 0.709826 Infinity
14765
996 pt -10.65670 13.93414 14.12488 Infinity 0.761615 Infinity
14766
997 pt -17.72014 14.22438 6.78913 -Infinity 0.737980 -Infinity
14767
998 pt -19.25307 13.23262 6.30169 Infinity 0.717567 Infinity
14768
999 pt -17.17030 13.72298 8.52618 Infinity 0.736883 Infinity
14769
1000 pt -16.78844 12.13270 11.60131 -Infinity 0.717211 -Infinity
14770
1001 pt -17.48318 10.39531 11.86564 Infinity 0.715154 Infinity
14771
1002 pt -14.97920 12.17822 12.14505 Infinity 0.748218 Infinity
14772
1003 pt -11.12401 8.79058 10.23757 -Infinity 0.978518 -Infinity
14773
1004 pt -11.71679 8.82633 8.44358 Infinity 1.026295 Infinity
14774
1005 pt -11.29041 7.03712 10.92223 Infinity 0.971126 Infinity
14775
1006 pt -21.45678 14.31270 12.50289 -Infinity 0.589544 -Infinity
14776
1007 pt -21.54152 15.99517 13.35914 Infinity 0.564564 Infinity
14777
1008 pt -19.64983 13.79728 12.30201 Infinity 0.628455 Infinity
14778
1009 pt -16.10633 17.16415 16.42899 -Infinity 0.590761 -Infinity
14779
1010 pt -14.88177 15.81374 15.93106 Infinity 0.630032 Infinity
14780
1011 pt -15.33966 18.86107 16.10689 Infinity 0.584955 Infinity
14781
1012 pt -7.99356 20.83351 10.28600 -Infinity 0.727876 -Infinity
14782
1013 pt -9.74673 20.75069 9.58558 Infinity 0.719797 Infinity
14783
1014 pt -6.77769 21.23807 8.89709 Infinity 0.753378 Infinity
14784
1015 pt -0.48096 9.94792 16.49141 -Infinity 0.855195 -Infinity
14785
1016 pt -1.63714 8.87621 15.44942 Infinity 0.918674 Infinity
14786
1017 pt -1.23474 11.66782 16.70313 Infinity 0.817726 Infinity
14787
1018 pt 3.68073 8.66126 10.59626 -Infinity 1.192506 -Infinity
14788
1019 pt 3.34557 7.55119 12.08840 Infinity 1.118638 Infinity
14789
1020 pt 4.73092 10.13819 11.13185 Infinity 1.079522 Infinity
14790
1021 pt -1.30132 18.55492 10.05201 -Infinity 0.856113 -Infinity
14791
1022 pt -1.82918 17.95008 8.34128 Infinity 0.927470 Infinity
14792
1023 pt -2.56976 17.99795 11.33728 Infinity 0.835329 Infinity
14793
1024 pt -2.85349 14.51689 16.98705 -Infinity 0.752514 -Infinity
14794
1025 pt -3.94520 15.24942 15.62961 Infinity 0.773620 Infinity
14795
1026 pt -3.85796 14.34022 18.57792 Infinity 0.705802 Infinity
14796
1027 pt -3.24105 20.38192 17.67302 -Infinity 0.631630 -Infinity
14797
1028 pt -3.66431 19.21288 16.24991 Infinity 0.679156 Infinity
14798
1029 pt -4.67239 21.58459 17.94859 Infinity 0.603142 Infinity
14799
1030 pt -5.50452 17.17532 13.19699 -Infinity 0.786219 -Infinity
14800
1031 pt -6.44575 15.59294 12.77130 Infinity 0.829611 Infinity
14801
1032 pt -6.37051 18.65682 12.40559 Infinity 0.759347 Infinity
14802
1033 pt -0.02939 6.98844 7.01504 -Infinity 1.806956 -Infinity
14803
1034 pt 1.14893 7.71724 8.30013 Infinity 1.535264 Infinity
14804
1035 pt -1.77528 6.90800 7.73369 Infinity 1.672658 Infinity
14805
1036 pt 6.77364 11.90334 13.32147 -Infinity 0.881337 -Infinity
14806
1037 pt 5.80173 11.93368 14.94182 Infinity 0.835855 Infinity
14807
1038 pt 7.65523 13.55779 13.08344 Infinity 0.835825 Infinity
14808
1039 pt 5.41852 14.45454 19.72900 -Infinity 0.660616 -Infinity
14809
1040 pt 4.29088 15.23998 18.43186 Infinity 0.688589 Infinity
14810
1041 pt 7.21714 14.89356 19.35044 Infinity 0.650431 Infinity
14811
1042 pt 2.49850 10.30866 20.89699 -Infinity 0.689874 -Infinity
14812
1043 pt 3.64088 11.79062 20.63277 Infinity 0.678217 Infinity
14813
1044 pt 1.29429 10.17383 19.44690 Infinity 0.739033 Infinity
14814
1045 pt 2.09371 16.12599 16.25692 -Infinity 0.741947 -Infinity
14815
1046 pt 2.10748 16.98536 14.57396 Infinity 0.769943 Infinity
14816
1047 pt 0.33338 15.57741 16.67087 Infinity 0.745856 Infinity
14817
1048 pt 14.28633 10.91695 9.52733 -Infinity 0.816619 -Infinity
14818
1049 pt 13.02180 9.86394 10.45641 Infinity 0.849696 Infinity
14819
1050 pt 16.02887 10.46100 10.09892 Infinity 0.758868 Infinity
14820
1051 pt 14.29889 13.47433 16.69262 -Infinity 0.636238 -Infinity
14821
1052 pt 15.92983 13.60116 17.63867 Infinity 0.596109 Infinity
14822
1053 pt 14.47159 14.33509 15.01920 Infinity 0.654067 Infinity
14823
1054 pt 17.03841 19.26056 9.68544 -Infinity 0.619084 -Infinity
14824
1055 pt 18.47325 20.07918 10.60312 Infinity 0.577604 Infinity
14825
1056 pt 15.79856 20.58105 9.14678 Infinity 0.623830 Infinity
14826
1057 pt 9.26621 16.36008 13.02087 -Infinity 0.748427 -Infinity
14827
1058 pt 11.08685 16.06847 12.60696 Infinity 0.732725 Infinity
14828
1059 pt 8.92706 18.21738 13.10116 Infinity 0.712913 Infinity
14829
1060 pt 10.65504 21.05001 19.19416 -Infinity 0.551956 -Infinity
14830
1061 pt 10.86232 21.99384 17.57019 Infinity 0.560293 Infinity
14831
1062 pt 8.92991 21.37180 19.89520 Infinity 0.550366 Infinity
14832
1063 pt 15.69520 8.39276 16.71258 -Infinity 0.652065 -Infinity
14833
1064 pt 17.58460 8.39920 16.74756 Infinity 0.618990 Infinity
14834
1065 pt 15.05866 10.17177 16.68110 Infinity 0.652726 Infinity
14835
1066 pt 19.27244 9.98683 10.68192 -Infinity 0.670432 -Infinity
14836
1067 pt 19.84426 11.65581 11.35911 Infinity 0.635957 Infinity
14837
1068 pt 20.29169 8.60385 11.46905 Infinity 0.645438 Infinity
14838
1069 pt 14.24259 15.54852 11.91663 -Infinity 0.695983 -Infinity
14839
1070 pt 14.42128 13.96236 10.90507 Infinity 0.735680 Infinity
14840
1071 pt 15.37541 16.88250 11.20370 Infinity 0.665110 Infinity
14841
1072 pt 18.29873 13.25479 20.01464 -Infinity 0.535762 -Infinity
14842
1073 pt 18.56623 15.10155 20.31293 Infinity 0.518105 Infinity
14843
1074 pt 19.95323 12.34986 20.13632 Infinity 0.520386 Infinity
14844
1075 pt 20.88558 8.61600 16.89172 -Infinity 0.563663 -Infinity
14845
1076 pt 21.94354 7.99195 15.45563 Infinity 0.566878 Infinity
14846
1077 pt 21.96532 9.60164 18.08911 Infinity 0.530837 Infinity
14847
1078 pt 10.59272 15.77113 19.59746 -Infinity 0.605108 -Infinity
14848
1079 pt 10.73962 17.64400 19.39297 Infinity 0.586957 Infinity
14849
1080 pt 11.68371 14.90919 18.31767 Infinity 0.626181 Infinity
14850
1081 pt 10.49782 8.34353 11.76116 -Infinity 0.911396 -Infinity
14851
1082 pt 11.20179 7.01541 12.90640 Infinity 0.862306 Infinity
14852
1083 pt 9.29399 9.43500 12.72581 Infinity 0.893583 Infinity
14858
1 a.u. = 0.171524 10**(-8) dyn/esu
14860
Atom X Y Z Electric field (a.u.)
14862
------------------------------------------------------------------------------------------------
14863
------------------------------------------------------------------------
14865
------------------------------------------------------------------------
14866
quantum energy -114.253229077 (-.299972E+06 kjoule/mol)
14867
quantum energy adjusted -114.253229077 (-.299972E+06 kjoule/mol)
14868
quantum energy internal -114.356380927 (-.300243E+06 kjoule/mol)
14869
Bq-nuclear energy 0.103151850 (0.270825E+03 kjoule/mol)
14870
Bq-electron energy 0.000000000 (0.000000E+00 kjoule/mol)
14871
classical energy -7.460526026 (-.195876E+05 kjoule/mol)
14872
total qmmm energy -121.713755103 (-.319559E+06 kjoule/mol)
14873
------------------------------------------------------------------------
14875
reducing step 3.12500000000000007E-4 1.78862816252991931E-5 1.00000000000000008E-5
14876
Total number of active Bq charges 1083
14877
frozen_density,esp T T
14878
disabling frozen_density,esp due to active qm atoms
14884
ao basis = "ao basis"
14891
input vectors = /home/d3p975/codes/nwchem-svn/nwchem/QA/tests/tce_qmmm_ccsd_opt/perm/fmd.movecs
14892
output vectors = /home/d3p975/codes/nwchem-svn/nwchem/QA/tests/tce_qmmm_ccsd_opt/perm/fmd.movecs
14897
Summary of "ao basis" -> "ao basis" (cartesian)
14898
------------------------------------------------------------------------------
14899
Tag Description Shells Functions and Types
14900
---------------- ------------------------------ ------ ---------------------
14901
O cc-pVDZ 6 15 3s2p1d
14902
C cc-pVDZ 6 15 3s2p1d
14907
Forming initial guess at 568.1s
14910
Loading old vectors from job with title :
14914
Nuclear repulsion energy = 31.054346806716872
14915
Bq nuclear interaction energy = 0.10317090387725417
14917
Starting SCF solution at 568.1s
14921
----------------------------------------------
14922
Quadratically convergent ROHF
14924
Convergence threshold : 1.000E-10
14925
Maximum no. of iterations : 200
14926
Final Fock-matrix accuracy: 0.000E+00
14927
----------------------------------------------
14930
#quartets = 1.471E+04 #integrals = 3.753E+05 #direct = 0.0% #cached =100.0%
14933
Integral file = /scratch/fmd.aoints.00
14934
Record size in doubles = 65536 No. of integs per rec = 43688
14935
Max. records in memory = 2 Max. records in file = 225827
14936
No. of bits per label = 8 No. of bits per value = 64
14939
File balance: exchanges= 0 moved= 0 time= 0.0
14941
Nuclear repulsion energy = 31.054346806716872
14942
Bq nuclear interaction energy = 0.10317090387725417
14944
iter energy gnorm gmax time
14945
----- ------------------- --------- --------- --------
14946
1 -113.9148337713 2.85E-04 7.84E-05 507.7
14947
Nuclear repulsion energy = 31.054346806716872
14948
Bq nuclear interaction energy = 0.10317090387725417
14949
2 -113.9148337775 3.31E-08 9.53E-09 508.0
14950
Nuclear repulsion energy = 31.054346806716872
14951
Bq nuclear interaction energy = 0.10317090387725417
14952
3 -113.9148337775 7.69E-12 2.72E-12 508.3
14953
Nuclear repulsion energy = 31.054346806716872
14954
Bq nuclear interaction energy = 0.10317090387725417
14960
Total SCF energy = -113.914833777523
14961
One-electron energy = -217.232305363414
14962
Two-electron energy = 72.159953875296
14963
Nuclear repulsion energy = 31.157517710594
14965
Time for solution = 0.7s
14991
ROHF Final Molecular Orbital Analysis
14992
-------------------------------------
14994
Vector 2 Occ=2.000000E+00 E=-1.134274E+01
14995
MO Center= 2.3E-01, 2.2E+00, -5.9E-01, r^2= 2.7E-02
14996
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
14997
----- ------------ --------------- ----- ------------ ---------------
15000
Vector 3 Occ=2.000000E+00 E=-1.396107E+00
15001
MO Center= -5.8E-01, 1.8E+00, -5.6E-01, r^2= 5.0E-01
15002
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
15003
----- ------------ --------------- ----- ------------ ---------------
15004
2 0.409246 1 O s 3 0.388412 1 O s
15005
17 0.207494 2 C s 19 -0.163963 2 C px
15007
Vector 4 Occ=2.000000E+00 E=-8.541470E-01
15008
MO Center= 1.8E-01, 2.1E+00, -5.8E-01, r^2= 1.4E+00
15009
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
15010
----- ------------ --------------- ----- ------------ ---------------
15011
17 0.355281 2 C s 3 -0.260882 1 O s
15012
18 0.234626 2 C s 31 0.228093 3 H s
15013
36 0.225601 4 H s 2 -0.192115 1 O s
15016
Vector 5 Occ=2.000000E+00 E=-6.769363E-01
15017
MO Center= -2.2E-02, 2.0E+00, -5.8E-01, r^2= 1.3E+00
15018
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
15019
----- ------------ --------------- ----- ------------ ---------------
15020
21 0.368712 2 C pz 6 0.334235 1 O pz
15021
36 -0.235835 4 H s 31 0.232817 3 H s
15024
Vector 6 Occ=2.000000E+00 E=-6.505147E-01
15025
MO Center= -5.0E-01, 1.8E+00, -5.5E-01, r^2= 1.3E+00
15026
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
15027
----- ------------ --------------- ----- ------------ ---------------
15028
4 0.436864 1 O px 19 -0.350977 2 C px
15029
7 0.289964 1 O px 3 -0.254959 1 O s
15030
5 0.203650 1 O py 20 -0.170679 2 C py
15032
Vector 7 Occ=2.000000E+00 E=-5.268655E-01
15033
MO Center= -5.5E-01, 1.8E+00, -5.6E-01, r^2= 9.2E-01
15034
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
15035
----- ------------ --------------- ----- ------------ ---------------
15036
5 0.431562 1 O py 8 0.313109 1 O py
15037
20 0.262872 2 C py 4 -0.192843 1 O px
15038
6 0.182586 1 O pz 23 0.150552 2 C py
15040
Vector 8 Occ=2.000000E+00 E=-4.362579E-01
15041
MO Center= -2.6E-01, 1.9E+00, -5.7E-01, r^2= 1.6E+00
15042
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
15043
----- ------------ --------------- ----- ------------ ---------------
15044
6 0.486059 1 O pz 9 0.408213 1 O pz
15045
31 -0.255686 3 H s 36 0.254917 4 H s
15046
21 -0.216603 2 C pz 5 -0.164116 1 O py
15048
Vector 9 Occ=0.000000E+00 E= 1.469340E-01
15049
MO Center= 4.2E-02, 2.1E+00, -5.8E-01, r^2= 1.7E+00
15050
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
15051
----- ------------ --------------- ----- ------------ ---------------
15052
23 0.584728 2 C py 8 -0.417594 1 O py
15053
20 0.370559 2 C py 5 -0.300436 1 O py
15054
22 -0.275815 2 C px 24 0.250331 2 C pz
15055
7 0.195797 1 O px 9 -0.175875 1 O pz
15056
19 -0.173614 2 C px 21 0.157089 2 C pz
15058
Vector 10 Occ=0.000000E+00 E= 2.233979E-01
15059
MO Center= 9.4E-01, 2.4E+00, -4.5E-01, r^2= 4.0E+00
15060
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
15061
----- ------------ --------------- ----- ------------ ---------------
15062
18 1.912990 2 C s 32 -1.500615 3 H s
15063
37 -1.238371 4 H s 22 0.605970 2 C px
15064
23 0.257369 2 C py 19 0.166126 2 C px
15066
Vector 11 Occ=0.000000E+00 E= 2.912030E-01
15067
MO Center= 9.8E-01, 2.6E+00, -7.9E-01, r^2= 4.1E+00
15068
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
15069
----- ------------ --------------- ----- ------------ ---------------
15070
37 1.930295 4 H s 32 -1.747831 3 H s
15071
24 1.292604 2 C pz 23 -0.448595 2 C py
15072
21 0.340881 2 C pz 9 -0.273359 1 O pz
15075
Vector 12 Occ=0.000000E+00 E= 3.719108E-01
15076
MO Center= 1.1E-01, 2.1E+00, -5.9E-01, r^2= 3.0E+00
15077
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
15078
----- ------------ --------------- ----- ------------ ---------------
15079
3 1.814372 1 O s 22 1.556813 2 C px
15080
18 -1.384088 2 C s 23 0.739748 2 C py
15081
7 0.622387 1 O px 8 0.297607 1 O py
15083
Vector 13 Occ=0.000000E+00 E= 6.836060E-01
15084
MO Center= 6.7E-01, 2.5E+00, -5.6E-01, r^2= 1.7E+00
15085
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
15086
----- ------------ --------------- ----- ------------ ---------------
15087
18 1.046689 2 C s 31 -0.765557 3 H s
15088
36 -0.747678 4 H s 30 -0.296987 2 C dzz
15089
22 0.291081 2 C px 29 0.282315 2 C dyz
15090
23 0.278201 2 C py 17 -0.213897 2 C s
15091
32 0.199295 3 H s 16 -0.195775 2 C s
15093
Vector 14 Occ=0.000000E+00 E= 6.960061E-01
15094
MO Center= 3.0E-01, 2.1E+00, -6.3E-01, r^2= 1.9E+00
15095
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
15096
----- ------------ --------------- ----- ------------ ---------------
15097
23 0.893062 2 C py 20 -0.866179 2 C py
15098
22 -0.458197 2 C px 19 0.400898 2 C px
15099
21 -0.360820 2 C pz 24 0.357459 2 C pz
15101
Vector 15 Occ=0.000000E+00 E= 7.561577E-01
15102
MO Center= 5.1E-02, 2.1E+00, -5.9E-01, r^2= 2.3E+00
15103
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
15104
----- ------------ --------------- ----- ------------ ---------------
15105
24 1.928282 2 C pz 36 0.704960 4 H s
15106
31 -0.692053 3 H s 32 -0.619394 3 H s
15107
23 -0.619310 2 C py 37 0.618824 4 H s
15108
22 0.373537 2 C px 9 -0.325043 1 O pz
15109
6 -0.297113 1 O pz 21 -0.277598 2 C pz
15111
Vector 16 Occ=0.000000E+00 E= 8.352407E-01
15112
MO Center= 5.5E-01, 2.3E+00, -5.8E-01, r^2= 2.5E+00
15113
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
15114
----- ------------ --------------- ----- ------------ ---------------
15115
24 1.508011 2 C pz 32 -1.501924 3 H s
15116
37 1.451518 4 H s 21 -0.764192 2 C pz
15117
27 0.524013 2 C dxz 23 -0.480619 2 C py
15118
36 -0.364402 4 H s 31 0.351298 3 H s
15119
22 0.326670 2 C px 29 0.265238 2 C dyz
15121
Vector 17 Occ=0.000000E+00 E= 8.941182E-01
15122
MO Center= -2.4E-02, 2.0E+00, -5.8E-01, r^2= 1.5E+00
15123
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
15124
----- ------------ --------------- ----- ------------ ---------------
15125
22 0.952625 2 C px 18 0.910083 2 C s
15126
19 -0.904246 2 C px 37 -0.531732 4 H s
15127
23 0.477386 2 C py 32 -0.466952 3 H s
15128
20 -0.445000 2 C py 7 -0.421214 1 O px
15129
26 -0.307862 2 C dxy 4 -0.267154 1 O px
15131
Vector 18 Occ=0.000000E+00 E= 9.596267E-01
15132
MO Center= 5.7E-01, 2.3E+00, -6.3E-01, r^2= 2.7E+00
15133
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
15134
----- ------------ --------------- ----- ------------ ---------------
15135
18 4.072538 2 C s 17 -1.676909 2 C s
15136
37 -1.316303 4 H s 32 -1.255246 3 H s
15137
16 -0.786818 2 C s 22 0.479677 2 C px
15138
3 -0.456446 1 O s 28 -0.288328 2 C dyy
15139
30 -0.241505 2 C dzz 23 0.237206 2 C py
15144
x = -0.59847504 y = 3.58524249 z = -1.07149456
15146
moments of inertia (a.u.)
15148
15.133473228656 -18.076619040281 0.486678344613
15149
-18.076619040281 44.126643594232 2.589098882118
15150
0.486678344613 2.589098882118 47.953021329091
15152
Mulliken analysis of the total density
15153
--------------------------------------
15155
Atom Charge Shell Charges
15156
----------- ------ -------------------------------------------------------
15157
1 O 8 8.47 2.00 0.83 0.92 2.79 1.90 0.02
15158
2 C 6 5.69 2.00 0.70 0.44 1.82 0.59 0.12
15159
3 H 1 0.93 0.75 0.15 0.03
15160
4 H 1 0.92 0.75 0.13 0.03
15162
Multipole analysis of the density wrt the origin
15163
------------------------------------------------
15165
L x y z total open nuclear
15166
- - - - ----- ---- -------
15167
0 0 0 0 0.000000 0.000000 16.000000
15169
1 1 0 0 1.399953 0.000000 -7.568944
15170
1 0 1 0 0.652240 0.000000 58.333430
15171
1 0 0 1 -0.074832 0.000000 -17.226477
15173
2 2 0 0 -10.035662 0.000000 26.746146
15174
2 1 1 0 4.670406 0.000000 -16.889247
15175
2 1 0 1 -1.467823 0.000000 8.295902
15176
2 0 2 0 -3.686241 0.000000 218.597472
15177
2 0 1 1 -1.063320 0.000000 -65.070631
15178
2 0 0 2 -8.051686 0.000000 24.130205
15180
Nuclear repulsion energy = 31.054346806716872
15181
Bq nuclear interaction energy = 0.10317090387725417
15183
Parallel integral file used 27 records with 0 large values
15185
NWChem Extensible Many-Electron Theory Module
15186
---------------------------------------------
15188
======================================================
15189
This portion of the program was automatically
15190
generated by a Tensor Contraction Engine (TCE).
15191
The development of this portion of the program
15192
and TCE was supported by US Department of Energy,
15193
Office of Science, Office of Basic Energy Science.
15194
TCE is a product of Battelle and PNNL.
15195
Please cite: S.Hirata, J.Phys.Chem.A 107, 9887 (2003).
15196
======================================================
15198
General Information
15199
-------------------
15200
Number of processors : 27
15201
Wavefunction type : Restricted Hartree-Fock
15202
No. of electrons : 16
15203
Alpha electrons : 8
15205
No. of orbitals : 80
15206
Alpha orbitals : 40
15208
Alpha frozen cores : 0
15209
Beta frozen cores : 0
15210
Alpha frozen virtuals : 0
15211
Beta frozen virtuals : 0
15212
Spin multiplicity : singlet
15213
Number of AO functions : 40
15214
Number of AO shells : 18
15215
Use of symmetry is : off
15216
Symmetry adaption is : off
15217
Schwarz screening : 0.00E+00
15219
Correlation Information
15220
-----------------------
15221
Calculation type : Coupled-cluster singles & doubles
15222
Perturbative correction : none
15223
Max iterations : 200
15224
Residual threshold : 0.10E-05
15225
T(0) DIIS level shift : 0.00E+00
15226
L(0) DIIS level shift : 0.00E+00
15227
T(1) DIIS level shift : 0.00E+00
15228
L(1) DIIS level shift : 0.00E+00
15229
T(R) DIIS level shift : 0.00E+00
15230
T(I) DIIS level shift : 0.00E+00
15231
CC-T/L Amplitude update : 5-th order DIIS
15232
I/O scheme : Global Array Library
15236
Available GA space size is 2654059007 doubles
15237
Available MA space size is 49130121 doubles
15239
Maximum block size supplied by input
15240
Maximum block size 12 doubles
15244
Block Spin Irrep Size Offset Alpha
15245
-------------------------------------------------
15246
1 alpha a 8 doubles 0 1
15247
2 beta a 8 doubles 8 1
15248
3 alpha a 10 doubles 16 3
15249
4 alpha a 11 doubles 26 4
15250
5 alpha a 11 doubles 37 5
15251
6 beta a 10 doubles 48 3
15252
7 beta a 11 doubles 58 4
15253
8 beta a 11 doubles 69 5
15255
Global array virtual files algorithm will be used
15257
Parallel file system coherency ......... OK
15259
#quartets = 1.471E+04 #integrals = 3.753E+05 #direct = 0.0% #cached =100.0%
15262
Integral file = /scratch/fmd.aoints.00
15263
Record size in doubles = 65536 No. of integs per rec = 43688
15264
Max. records in memory = 2 Max. records in file = 225827
15265
No. of bits per label = 8 No. of bits per value = 64
15268
File balance: exchanges= 0 moved= 0 time= 0.0
15271
Fock matrix recomputed
15272
1-e file size = 1600
15273
1-e file name = /scratch/fmd.f1
15274
1-e file handle = -993
15275
Cpu & wall time / sec 0.1 0.1
15277
2-e (intermediate) file size = 5769600
15278
2-e (intermediate) file name = /scratch/fmd.v2i
15279
Cpu & wall time / sec 0.1 0.1
15281
2-e file size = 3566009
15282
2-e file name = /scratch/fmd.v2
15283
2-e file handle = -991
15284
Cpu & wall time / sec 0.1 0.1
15287
t1 file name = /scratch/fmd.t1
15288
t1 file handle = -992
15289
Cpu & wall time / sec 0.0
15290
before tce_guess_t2
15293
t2 file size = 109248
15294
t2 file name = /scratch/fmd.t2
15295
t2 file handle = -989
15296
Cpu & wall time / sec 0.0
15299
-----------------------------------------------------------------
15300
Iter Residuum Correlation Cpu Wall V2*C2
15301
-----------------------------------------------------------------
15302
1 0.1517121063647 -0.3227335173824 0.2 0.2 0.0
15303
2 0.0552825621819 -0.3256093627792 0.2 0.2 0.0
15304
3 0.0173690768993 -0.3360719703819 0.2 0.2 0.0
15305
4 0.0105441076402 -0.3366076083986 0.2 0.2 0.0
15306
5 0.0044737516409 -0.3378414641171 0.2 0.2 0.0
15307
MICROCYCLE DIIS UPDATE: 5 5
15308
6 0.0016775548351 -0.3382677441446 0.2 0.2 0.0
15309
7 0.0007062369789 -0.3383774862595 0.2 0.2 0.0
15310
8 0.0003966085705 -0.3383812236620 0.1 0.2 0.0
15311
9 0.0002212002040 -0.3383855987495 0.2 0.2 0.0
15312
10 0.0001324976975 -0.3383907303263 0.2 0.2 0.0
15313
MICROCYCLE DIIS UPDATE: 10 5
15314
11 0.0000239294505 -0.3383973430058 0.2 0.2 0.0
15315
12 0.0000133910800 -0.3383978987683 0.2 0.2 0.0
15316
13 0.0000091545172 -0.3383989117575 0.2 0.2 0.0
15317
14 0.0000069413980 -0.3383989647608 0.2 0.2 0.0
15318
15 0.0000053365367 -0.3383990863614 0.2 0.2 0.0
15319
MICROCYCLE DIIS UPDATE: 15 5
15320
16 0.0000011661433 -0.3383990778513 0.2 0.2 0.0
15321
17 0.0000005974307 -0.3383991684794 0.2 0.2 0.0
15322
-----------------------------------------------------------------
15323
Iterations converged
15324
CCSD correlation energy / hartree = -0.338399168479355
15325
CCSD total energy / hartree = -114.253232946002740
15327
Singles contributions
15329
Doubles contributions
15330
9a (alpha) 9a (beta ) --- 7a (alpha) 7a (beta ) -0.1173012511
15332
CCSD Lambda iterations
15333
--------------------------------------
15334
Iter Residuum Cpu Wall
15335
--------------------------------------
15336
1 1.6754660330608 0.4 0.6
15337
2 0.0293229929965 0.4 0.6
15338
3 0.0031811014166 0.4 0.6
15339
4 0.0003675661216 0.4 0.6
15340
5 0.0001068257450 0.5 0.6
15341
MICROCYCLE DIIS UPDATE: 5 5
15342
6 0.0000239462057 0.5 0.6
15343
7 0.0000046255554 0.4 0.6
15344
8 0.0000014862623 0.5 0.6
15345
9 0.0000004820506 0.5 0.6
15346
--------------------------------------
15347
Iterations converged
15349
MO Z-VEC iterations
15350
--------------------------------------
15351
Iter Residuum Cpu Wall
15352
--------------------------------------
15353
1 0.0234843041287 0.0 0.0
15354
2 0.0076555263303 0.0 0.0
15355
3 0.0030591704854 0.0 0.0
15356
4 0.0027661555749 0.0 0.0
15357
5 0.0017229292160 0.0 0.0
15358
MICROCYCLE DIIS UPDATE: 5 5
15359
6 0.0003197114832 0.0 0.0
15360
7 0.0001724742647 0.0 0.0
15361
8 0.0000811982529 0.0 0.0
15362
9 0.0000690770834 0.0 0.0
15363
10 0.0000365928259 0.0 0.0
15364
MICROCYCLE DIIS UPDATE: 10 5
15365
11 0.0000046449029 0.0 0.0
15366
12 0.0000023115952 0.0 0.0
15367
13 0.0000011591819 0.0 0.0
15368
14 0.0000009759105 0.0 0.0
15369
--------------------------------------
15370
Iterations converged
15372
NWChem Gradients Module
15373
-----------------------
15377
wavefunction = TCE RHF CCSD
15381
ccsd ENERGY GRADIENTS
15383
atom coordinates gradient
15385
1 O -1.631770 3.087301 -1.028236 0.013652 0.002162 0.002544
15386
2 C 0.438651 4.084598 -1.115159 -0.000948 -0.000261 0.000168
15387
3 H 1.757984 4.021786 0.510016 -0.000153 0.000054 -0.000011
15388
4 H 1.095333 5.105648 -2.819658 -0.000862 0.000402 0.000354
15390
----------------------------------------
15391
| Time | 1-e(secs) | 2-e(secs) |
15392
----------------------------------------
15393
| CPU | 0.08 | 0.13 |
15394
----------------------------------------
15395
| WALL | 0.15 | 0.14 |
15396
----------------------------------------
15398
Parallel integral file used 27 records with 0 large values
15400
Bq nuclear interaction energy = 0.10317090387725417
15401
Calculating forces on classical charges
15402
---------------------------------------
15403
Total number of charges 1083
15404
NWChem Property Module
15405
----------------------
15409
---------------------------------------------
15410
Electrostatic potential/diamagnetic shielding
15411
---------------------------------------------
15413
1 a.u. = 9.07618 esu/cm ( or statvolts )
15414
Point X Y Z Total Potential(a.u.) Diamagnetic shielding(a.u.) External Bq potential
15415
1 pt -10.84723 -20.95205 -11.78145 -Infinity 0.557455 -Infinity
15416
2 pt -9.86955 -19.74675 -10.70328 Infinity 0.594239 Infinity
15417
3 pt -12.23975 -21.72295 -10.76279 Infinity 0.541873 Infinity
15418
4 pt -13.12431 -10.66220 -18.89845 -Infinity 0.613889 -Infinity
15419
5 pt -13.17479 -12.55121 -18.91047 Infinity 0.588767 Infinity
15420
6 pt -11.56403 -10.06708 -19.78300 Infinity 0.623513 Infinity
15421
7 pt -16.79698 -8.14740 -16.53412 -Infinity 0.632353 -Infinity
15422
8 pt -17.27884 -9.23444 -15.06537 Infinity 0.632785 Infinity
15423
9 pt -15.30717 -8.90378 -17.41696 Infinity 0.632083 Infinity
15424
10 pt -17.30898 -10.90329 -12.00970 -Infinity 0.648111 -Infinity
15425
11 pt -18.50874 -9.94796 -10.90563 Infinity 0.652620 Infinity
15426
12 pt -16.21978 -12.01827 -10.94126 Infinity 0.661205 Infinity
15427
13 pt -12.84229 -7.70713 -11.71752 -Infinity 0.808887 -Infinity
15428
14 pt -11.59319 -8.74067 -10.74664 Infinity 0.835256 Infinity
15429
15 pt -14.34453 -8.77081 -12.14520 Infinity 0.742127 Infinity
15430
16 pt -16.85206 -17.68011 -11.06739 -Infinity 0.559567 -Infinity
15431
17 pt -15.76931 -16.30360 -10.35749 Infinity 0.599188 Infinity
15432
18 pt -18.60008 -17.53383 -10.36448 Infinity 0.546358 Infinity
15433
19 pt -7.79410 -18.14783 -8.64777 -Infinity 0.662510 -Infinity
15434
20 pt -7.25183 -19.87406 -8.10266 Infinity 0.629521 Infinity
15435
21 pt -7.82011 -16.99302 -7.15218 Infinity 0.705649 Infinity
15436
22 pt -14.30790 -19.61047 -15.39045 -Infinity 0.523831 -Infinity
15437
23 pt -12.76607 -20.03958 -14.38561 Infinity 0.537710 Infinity
15438
24 pt -15.61428 -18.85789 -14.25112 Infinity 0.531980 Infinity
15439
25 pt -9.64832 -10.74055 -8.91994 -Infinity 0.855943 -Infinity
15440
26 pt -9.72122 -10.58856 -7.03775 Infinity 0.894231 Infinity
15441
27 pt -7.84570 -10.70875 -9.48617 Infinity 0.882570 Infinity
15442
28 pt -14.24333 -13.62735 -8.86931 -Infinity 0.686033 -Infinity
15443
29 pt -14.63664 -13.92470 -7.04504 Infinity 0.688612 Infinity
15444
30 pt -12.50957 -12.89284 -9.02938 Infinity 0.732254 Infinity
15445
31 pt 4.17235 -20.91808 -8.89512 -Infinity 0.610425 -Infinity
15446
32 pt 5.42298 -22.28335 -8.51689 Infinity 0.579034 Infinity
15447
33 pt 3.29183 -21.30218 -10.52245 Infinity 0.593602 Infinity
15448
34 pt 4.77666 -17.49378 -15.08387 -Infinity 0.617175 -Infinity
15449
35 pt 6.09922 -17.11459 -13.78846 Infinity 0.633685 Infinity
15450
36 pt 4.17903 -19.27407 -14.87300 Infinity 0.588781 Infinity
15451
37 pt -4.46367 -10.02339 -10.08088 -Infinity 0.951347 -Infinity
15452
38 pt -3.35375 -11.34455 -10.85139 Infinity 0.883452 Infinity
15453
39 pt -3.47826 -9.03697 -8.80534 Infinity 1.057386 Infinity
15454
40 pt -1.01914 -20.36333 -12.13302 -Infinity 0.605328 -Infinity
15455
41 pt -1.27340 -21.50243 -13.61924 Infinity 0.569272 Infinity
15456
42 pt -1.11261 -21.37482 -10.53953 Infinity 0.598158 Infinity
15457
43 pt -0.08714 -17.77606 -20.87779 -Infinity 0.548328 -Infinity
15458
44 pt -0.21104 -18.93209 -19.38806 Infinity 0.550313 Infinity
15459
45 pt 0.74838 -18.68106 -22.31094 Infinity 0.518741 Infinity
15460
46 pt 4.93315 -8.49329 -13.92388 -Infinity 0.863023 -Infinity
15461
47 pt 3.82291 -9.85485 -14.61999 Infinity 0.814447 Infinity
15462
48 pt 4.25571 -6.80447 -14.43384 Infinity 0.905826 Infinity
15463
49 pt 7.03823 -16.37429 -19.51718 -Infinity 0.565967 -Infinity
15464
50 pt 6.72082 -17.79075 -20.72712 Infinity 0.533573 Infinity
15465
51 pt 6.03643 -16.65550 -17.93972 Infinity 0.587924 Infinity
15466
52 pt -4.71592 -16.93543 -12.62987 -Infinity 0.667934 -Infinity
15467
53 pt -3.37893 -18.26962 -12.57116 Infinity 0.642596 Infinity
15468
54 pt -5.96767 -17.23525 -11.24629 Infinity 0.671433 Infinity
15469
55 pt -4.53578 -11.35453 -20.77148 -Infinity 0.637966 -Infinity
15470
56 pt -4.98153 -12.25794 -19.17266 Infinity 0.653171 Infinity
15471
57 pt -3.82525 -12.58688 -22.01547 Infinity 0.599241 Infinity
15472
58 pt -0.95776 -13.55463 -11.75498 -Infinity 0.789886 -Infinity
15473
59 pt 0.47151 -14.29958 -10.76843 Infinity 0.783134 Infinity
15474
60 pt -2.27347 -14.87724 -12.05610 Infinity 0.740738 Infinity
15475
61 pt 2.07894 -12.46035 -15.73871 -Infinity 0.728697 -Infinity
15476
62 pt 2.94443 -14.11608 -16.02248 Infinity 0.681107 Infinity
15477
63 pt 0.77919 -12.65242 -14.38046 Infinity 0.758434 Infinity
15478
64 pt -6.00155 -13.76488 -16.51291 -Infinity 0.669737 -Infinity
15479
65 pt -7.05935 -12.50397 -15.58435 Infinity 0.706363 Infinity
15480
66 pt -5.38350 -15.08093 -15.30581 Infinity 0.666625 Infinity
15481
67 pt 7.22251 -11.46513 -21.36664 -Infinity 0.604133 -Infinity
15482
68 pt 7.28986 -13.27498 -20.82723 Infinity 0.588658 Infinity
15483
69 pt 5.42113 -10.94075 -21.59271 Infinity 0.617985 Infinity
15484
70 pt 3.25647 -15.52294 -9.20442 -Infinity 0.755412 -Infinity
15485
71 pt 3.17873 -17.38271 -8.87842 Infinity 0.703402 Infinity
15486
72 pt 4.99113 -15.05733 -9.79198 Infinity 0.748214 Infinity
15487
73 pt 0.15301 -9.35988 -19.53028 -Infinity 0.707780 -Infinity
15488
74 pt -1.61597 -9.88573 -19.93682 Infinity 0.688156 Infinity
15489
75 pt 0.85425 -10.48960 -18.18750 Infinity 0.718855 Infinity
15490
76 pt -0.87106 -7.57185 -7.14328 -Infinity 1.252141 -Infinity
15491
77 pt 0.40400 -6.36167 -7.83664 Infinity 1.316191 Infinity
15492
78 pt 0.00403 -9.13609 -6.54459 Infinity 1.148173 Infinity
15493
79 pt 8.90602 -16.16124 -12.07933 -Infinity 0.651225 -Infinity
15494
80 pt 10.06345 -16.80113 -13.42913 Infinity 0.611731 Infinity
15495
81 pt 9.41688 -16.89020 -10.41238 Infinity 0.648347 Infinity
15496
82 pt 15.56930 -12.16173 -16.15773 -Infinity 0.589069 -Infinity
15497
83 pt 13.87597 -11.50905 -15.63077 Infinity 0.627412 Infinity
15498
84 pt 15.38861 -13.18072 -17.73889 Infinity 0.560310 Infinity
15499
85 pt 10.46903 -9.04921 -18.18006 -Infinity 0.666630 -Infinity
15500
86 pt 10.20630 -9.86870 -16.49766 Infinity 0.690363 Infinity
15501
87 pt 9.37499 -9.89185 -19.47006 Infinity 0.642014 Infinity
15502
88 pt 11.63256 -16.92690 -16.83805 -Infinity 0.558469 -Infinity
15503
89 pt 12.95383 -16.38644 -18.07628 Infinity 0.541414 Infinity
15504
90 pt 9.94403 -16.94837 -17.68627 Infinity 0.561875 Infinity
15505
91 pt 9.45734 -11.17968 -13.70331 -Infinity 0.729975 -Infinity
15506
92 pt 7.78453 -10.30612 -13.60496 Infinity 0.778662 Infinity
15507
93 pt 9.29334 -12.93519 -13.02334 Infinity 0.704668 Infinity
15508
94 pt 14.57351 -7.01191 -9.89824 -Infinity 0.780254 -Infinity
15509
95 pt 13.92514 -8.75872 -9.58310 Infinity 0.765959 Infinity
15510
96 pt 13.16651 -5.92158 -10.53276 Infinity 0.832270 Infinity
15511
97 pt 14.52073 -14.46192 -8.29747 -Infinity 0.649006 -Infinity
15512
98 pt 14.24147 -13.15412 -6.96228 Infinity 0.690910 Infinity
15513
99 pt 13.17916 -15.78699 -8.17317 Infinity 0.644047 Infinity
15514
100 pt 15.52349 -19.18551 -13.76149 -Infinity 0.521579 -Infinity
15515
101 pt 16.42369 -17.59041 -13.29635 Infinity 0.536657 Infinity
15516
102 pt 14.11817 -18.79000 -14.96137 Infinity 0.529848 Infinity
15517
103 pt 17.80980 -14.69130 -12.22450 -Infinity 0.566395 -Infinity
15518
104 pt 16.67759 -14.52179 -10.72103 Infinity 0.596147 Infinity
15519
105 pt 17.13731 -13.63882 -13.64263 Infinity 0.576615 Infinity
15520
106 pt -17.30093 3.37275 -20.58380 -Infinity 0.622222 -Infinity
15521
107 pt -16.62419 2.25018 -19.22257 Infinity 0.659046 Infinity
15522
108 pt -16.62173 2.81554 -22.25690 Infinity 0.601421 Infinity
15523
109 pt -7.95546 -4.07306 -19.46213 -Infinity 0.752037 -Infinity
15524
110 pt -6.18604 -3.60034 -18.99653 Infinity 0.794200 Infinity
15525
111 pt -9.00309 -4.21656 -17.89594 Infinity 0.784423 Infinity
15526
112 pt -10.24997 -4.43798 -14.87327 -Infinity 0.856411 -Infinity
15527
113 pt -11.59767 -5.53853 -14.13600 Infinity 0.825411 Infinity
15528
114 pt -8.61824 -4.74923 -13.97236 Infinity 0.921785 Infinity
15529
115 pt -12.87221 5.50573 -13.37260 -Infinity 0.913727 -Infinity
15530
116 pt -11.97015 3.85526 -13.55515 Infinity 0.945895 Infinity
15531
117 pt -14.43304 5.26041 -12.33592 Infinity 0.891815 Infinity
15532
118 pt -13.27301 -3.61429 -8.55495 -Infinity 0.977204 -Infinity
15533
119 pt -13.17242 -4.99406 -9.84226 Infinity 0.910834 Infinity
15534
120 pt -11.68927 -2.58475 -8.60848 Infinity 1.084884 Infinity
15535
121 pt -15.46701 0.10534 -17.21925 -Infinity 0.719144 -Infinity
15536
122 pt -14.68219 -0.01148 -15.50418 Infinity 0.780303 Infinity
15537
123 pt -16.81975 -1.20379 -17.38460 Infinity 0.680247 Infinity
15538
124 pt -8.46727 -1.50306 -9.49301 -Infinity 1.269380 -Infinity
15539
125 pt -7.00354 -0.32039 -9.32026 Infinity 1.432898 Infinity
15540
126 pt -7.86071 -3.16486 -10.15753 Infinity 1.188276 Infinity
15541
127 pt -10.80319 2.83237 -18.58698 -Infinity 0.787418 -Infinity
15542
128 pt -12.46319 1.98571 -18.90102 Infinity 0.743918 Infinity
15543
129 pt -10.22103 2.44779 -16.83077 Infinity 0.863280 Infinity
15544
130 pt -18.93772 -4.42330 -13.32449 -Infinity 0.681572 -Infinity
15545
131 pt -20.71119 -4.99158 -13.00365 Infinity 0.642081 Infinity
15546
132 pt -18.12737 -5.56876 -14.59032 Infinity 0.667536 Infinity
15547
133 pt -21.03744 2.75886 -16.81039 -Infinity 0.619390 -Infinity
15548
134 pt -20.11614 3.10195 -18.42425 Infinity 0.611959 Infinity
15549
135 pt -21.15692 0.89291 -16.53647 Infinity 0.618089 Infinity
15550
136 pt -19.60623 -0.61452 -9.83695 -Infinity 0.749426 -Infinity
15551
137 pt -21.45548 -0.39894 -10.16080 Infinity 0.692572 Infinity
15552
138 pt -18.91460 -1.94315 -10.98910 Infinity 0.742354 Infinity
15553
139 pt -19.79800 -2.65696 -19.03411 -Infinity 0.591586 -Infinity
15554
140 pt -18.76455 -3.87747 -20.04078 Infinity 0.585452 Infinity
15555
141 pt -21.29636 -3.54918 -18.30616 Infinity 0.573807 Infinity
15556
142 pt -17.01946 3.90994 -10.52095 -Infinity 0.843929 -Infinity
15557
143 pt -18.20277 5.00403 -11.50775 Infinity 0.779327 Infinity
15558
144 pt -17.85587 2.25865 -10.14053 Infinity 0.818611 Infinity
15559
145 pt -10.73109 0.64357 -13.77880 -Infinity 0.967270 -Infinity
15560
146 pt -10.66490 -1.09406 -14.51862 Infinity 0.916226 Infinity
15561
147 pt -10.09642 0.59635 -11.99946 Infinity 1.080856 Infinity
15562
148 pt -19.96419 6.69707 -13.78257 -Infinity 0.683874 -Infinity
15563
149 pt -21.04508 8.20050 -14.15999 Infinity 0.646786 Infinity
15564
150 pt -20.57726 5.21308 -14.77906 Infinity 0.658279 Infinity
15565
151 pt 4.27647 3.52693 -17.96847 -Infinity 0.909318 -Infinity
15566
152 pt 4.91578 3.51723 -19.74674 Infinity 0.821401 Infinity
15567
153 pt 3.52393 5.21573 -17.57773 Infinity 0.935861 Infinity
15568
154 pt -6.17639 -5.55570 -12.02476 -Infinity 1.041904 -Infinity
15569
155 pt -5.82558 -7.30894 -11.41308 Infinity 1.003497 Infinity
15570
156 pt -4.59382 -4.52703 -11.93318 Infinity 1.128190 Infinity
15571
157 pt -4.11778 1.33637 -9.68471 -Infinity 1.661471 -Infinity
15572
158 pt -3.55474 2.67920 -10.88923 Infinity 1.545005 Infinity
15573
159 pt -4.23005 2.05867 -7.94208 Infinity 2.007026 Infinity
15574
160 pt 3.59837 0.72646 -11.24337 -Infinity 1.402076 -Infinity
15575
161 pt 5.14808 1.53401 -11.96263 Infinity 1.280160 Infinity
15576
162 pt 2.27550 2.04491 -10.95562 Infinity 1.530625 Infinity
15577
163 pt -2.21718 4.79677 -13.03886 -Infinity 1.312998 -Infinity
15578
164 pt -3.42343 6.18759 -13.46507 Infinity 1.228801 Infinity
15579
165 pt -0.66164 5.52897 -12.25447 Infinity 1.404793 Infinity
15580
166 pt 3.82600 -3.32823 -15.07553 -Infinity 0.982777 -Infinity
15581
167 pt 2.42128 -2.87034 -16.25373 Infinity 0.951249 Infinity
15582
168 pt 3.92600 -2.05099 -13.68639 Infinity 1.096845 Infinity
15583
169 pt -0.09187 1.19597 -16.39151 -Infinity 1.028465 -Infinity
15584
170 pt 1.54226 1.93467 -16.98733 Infinity 0.989079 Infinity
15585
171 pt -0.97580 2.43802 -15.27480 Infinity 1.118855 Infinity
15586
172 pt -1.95644 -2.89933 -11.69132 -Infinity 1.271384 -Infinity
15587
173 pt -0.31648 -3.32067 -10.85225 Infinity 1.327290 Infinity
15588
174 pt -2.61635 -1.26774 -11.00322 Infinity 1.415430 Infinity
15589
175 pt 2.61901 -3.73649 -8.93676 -Infinity 1.415064 -Infinity
15590
176 pt 3.02704 -2.04168 -9.66628 Infinity 1.458082 Infinity
15591
177 pt 4.17402 -4.81023 -8.92716 Infinity 1.277121 Infinity
15592
178 pt -3.13455 -2.75175 -17.46253 -Infinity 0.898660 -Infinity
15593
179 pt -2.18429 -1.14366 -17.17597 Infinity 0.946297 Infinity
15594
180 pt -3.14016 -3.77319 -15.87265 Infinity 0.953737 Infinity
15595
181 pt -2.37331 5.77743 -19.79274 -Infinity 0.843804 -Infinity
15596
182 pt -0.86921 6.26141 -18.75616 Infinity 0.893237 Infinity
15597
183 pt -3.65335 7.16636 -19.73412 Infinity 0.830024 Infinity
15598
184 pt 17.61826 2.77546 -20.84224 -Infinity 0.595776 -Infinity
15599
185 pt 17.37527 1.75654 -19.26940 Infinity 0.624916 Infinity
15600
186 pt 18.63192 1.78021 -22.08845 Infinity 0.561249 Infinity
15601
187 pt 8.87647 -4.30942 -16.48300 -Infinity 0.809707 -Infinity
15602
188 pt 9.17521 -6.03989 -17.18106 Infinity 0.755296 Infinity
15603
189 pt 7.02399 -4.04755 -16.21691 Infinity 0.859051 Infinity
15604
190 pt 18.69807 -5.45649 -12.56866 -Infinity 0.661402 -Infinity
15605
191 pt 18.43453 -5.72216 -14.42096 Infinity 0.639396 Infinity
15606
192 pt 17.29827 -6.28519 -11.60694 Infinity 0.696257 Infinity
15607
193 pt 6.85501 -6.63346 -9.49675 -Infinity 1.048824 -Infinity
15608
194 pt 8.36015 -5.61880 -10.02219 Infinity 1.019340 Infinity
15609
195 pt 6.14762 -7.53679 -10.99830 Infinity 0.974317 Infinity
15610
196 pt 7.28606 3.21664 -13.81086 -Infinity 1.068956 -Infinity
15611
197 pt 7.94021 4.98919 -13.77607 Infinity 1.043522 Infinity
15612
198 pt 6.28510 2.94439 -15.39042 Infinity 1.006485 Infinity
15613
199 pt 18.09288 -0.64845 -10.51917 -Infinity 0.750687 -Infinity
15614
200 pt 16.96802 0.45207 -11.56540 Infinity 0.774968 Infinity
15615
201 pt 18.10761 -2.39730 -11.23497 Infinity 0.724849 Infinity
15616
202 pt 16.49243 -0.69587 -17.13454 -Infinity 0.671953 -Infinity
15617
203 pt 14.82802 -0.98991 -17.97973 Infinity 0.686135 Infinity
15618
204 pt 17.49224 -2.29944 -17.13485 Infinity 0.643302 Infinity
15619
205 pt 18.34755 3.21852 -7.00221 -Infinity 0.809592 -Infinity
15620
206 pt 18.15792 1.76321 -8.19266 Infinity 0.797325 Infinity
15621
207 pt 17.55067 4.75766 -7.75528 Infinity 0.830082 Infinity
15622
208 pt 14.37975 -6.41973 -20.43671 -Infinity 0.604913 -Infinity
15623
209 pt 13.11042 -7.60424 -19.69050 Infinity 0.622624 Infinity
15624
210 pt 13.63116 -4.68904 -20.56068 Infinity 0.627196 Infinity
15625
211 pt 18.69242 -5.53020 -17.80981 -Infinity 0.590368 -Infinity
15626
212 pt 19.60332 -7.17959 -17.66544 Infinity 0.566188 Infinity
15627
213 pt 17.14996 -5.75273 -18.87863 Infinity 0.596792 Infinity
15628
214 pt 15.32871 2.62861 -13.27352 -Infinity 0.798869 -Infinity
15629
215 pt 15.60764 4.48033 -13.52732 Infinity 0.784695 Infinity
15630
216 pt 15.75374 1.70256 -14.86501 Infinity 0.746690 Infinity
15631
217 pt 12.13377 -1.76043 -19.54097 -Infinity 0.693974 -Infinity
15632
218 pt 11.31598 -0.49592 -20.68258 Infinity 0.686677 Infinity
15633
219 pt 10.83338 -2.50463 -18.38934 Infinity 0.739744 Infinity
15634
220 pt 10.79348 -4.03850 -11.69169 -Infinity 0.922120 -Infinity
15635
221 pt 10.24394 -4.17550 -13.49454 Infinity 0.877223 Infinity
15636
222 pt 10.91581 -2.21633 -11.20610 Infinity 0.975856 Infinity
15637
223 pt 10.94455 1.05125 -10.90194 -Infinity 1.043376 -Infinity
15638
224 pt 12.62008 1.70127 -11.48599 Infinity 0.947680 Infinity
15639
225 pt 9.57066 1.81774 -11.94884 Infinity 1.069232 Infinity
15640
226 pt -20.51211 13.56484 -11.32196 -Infinity 0.651643 -Infinity
15641
227 pt -21.63186 15.03296 -10.91964 Infinity 0.617106 Infinity
15642
228 pt -21.18440 12.65469 -12.83547 Infinity 0.629489 Infinity
15643
229 pt -10.46523 8.63279 -8.09919 -Infinity 1.215532 -Infinity
15644
230 pt -11.63953 7.17420 -7.84504 Infinity 1.188210 Infinity
15645
231 pt -11.46416 10.18184 -8.51590 Infinity 1.083012 Infinity
15646
232 pt -8.15588 14.57247 -12.86742 -Infinity 0.896664 -Infinity
15647
233 pt -9.14653 13.06967 -13.44296 Infinity 0.897870 Infinity
15648
234 pt -7.96230 14.51863 -10.98841 Infinity 0.967299 Infinity
15649
235 pt -17.59378 8.01631 -18.38067 -Infinity 0.648043 -Infinity
15650
236 pt -17.41511 6.38182 -19.31211 Infinity 0.640091 Infinity
15651
237 pt -18.07825 7.67072 -16.58709 Infinity 0.673522 Infinity
15652
238 pt -10.47256 10.04329 -14.53197 -Infinity 0.891913 -Infinity
15653
239 pt -11.28526 8.48432 -13.83901 Infinity 0.919902 Infinity
15654
240 pt -11.58696 10.79990 -15.85738 Infinity 0.807194 Infinity
15655
241 pt -15.75698 15.93881 -12.14329 -Infinity 0.710753 -Infinity
15656
242 pt -17.40103 15.04925 -11.86603 Infinity 0.693675 Infinity
15657
243 pt -15.74132 17.55525 -11.16456 Infinity 0.696169 Infinity
15658
244 pt -7.46751 19.13555 -14.92646 -Infinity 0.728698 -Infinity
15659
245 pt -7.66246 17.40039 -14.20377 Infinity 0.785900 Infinity
15660
246 pt -8.55464 20.34548 -13.96455 Infinity 0.707292 Infinity
15661
247 pt -10.53623 7.73401 -20.48594 -Infinity 0.719584 -Infinity
15662
248 pt -10.80886 6.05829 -19.65607 Infinity 0.748257 Infinity
15663
249 pt -11.67099 9.02173 -19.69525 Infinity 0.715170 Infinity
15664
250 pt -14.36923 17.86718 -17.06409 -Infinity 0.627039 -Infinity
15665
251 pt -14.75109 17.00461 -15.42665 Infinity 0.659711 Infinity
15666
252 pt -14.51662 19.73791 -16.84115 Infinity 0.602570 Infinity
15667
253 pt -12.66498 13.32471 -8.67150 -Infinity 0.924026 -Infinity
15668
254 pt -13.65321 14.07267 -10.09804 Infinity 0.839149 Infinity
15669
255 pt -13.49630 13.76044 -7.03134 Infinity 0.913080 Infinity
15670
256 pt -13.67825 11.26792 -18.59653 -Infinity 0.689287 -Infinity
15671
257 pt -14.24621 12.83372 -19.48913 Infinity 0.646417 Infinity
15672
258 pt -15.15896 10.12671 -18.32049 Infinity 0.679840 Infinity
15673
259 pt -9.55335 17.21485 -19.29745 -Infinity 0.653486 -Infinity
15674
260 pt -11.34680 17.11208 -18.71090 Infinity 0.647209 Infinity
15675
261 pt -8.50754 18.07803 -17.98129 Infinity 0.676270 Infinity
15676
262 pt -16.11527 15.20523 -21.27372 -Infinity 0.570812 -Infinity
15677
263 pt -15.75160 16.40770 -19.86203 Infinity 0.584674 Infinity
15678
264 pt -16.14013 16.14542 -22.91277 Infinity 0.539937 Infinity
15679
265 pt -15.56831 20.36334 -9.39387 -Infinity 0.666163 -Infinity
15680
266 pt -16.07070 22.00869 -10.17584 Infinity 0.621045 Infinity
15681
267 pt -16.21942 20.28211 -7.62172 Infinity 0.671474 Infinity
15682
268 pt -5.83197 9.47564 -18.95145 -Infinity 0.817566 -Infinity
15683
269 pt -7.58201 8.93917 -19.42118 Infinity 0.784930 Infinity
15684
270 pt -5.66627 9.50965 -17.06931 Infinity 0.897345 Infinity
15685
271 pt 3.38444 18.20483 -19.47593 -Infinity 0.671806 -Infinity
15686
272 pt 1.56555 18.01042 -19.95018 Infinity 0.671027 Infinity
15687
273 pt 4.34355 16.66657 -20.00972 Infinity 0.680393 Infinity
15688
274 pt -5.40748 14.21745 -21.14230 -Infinity 0.688574 -Infinity
15689
275 pt -5.41256 12.47926 -20.40087 Infinity 0.732648 Infinity
15690
276 pt -6.94635 15.15246 -20.56897 Infinity 0.678959 Infinity
15691
277 pt 1.81481 7.96249 -17.37456 -Infinity 0.938079 -Infinity
15692
278 pt 1.91184 9.15838 -15.91460 Infinity 0.996959 Infinity
15693
279 pt 2.11320 8.90639 -18.98424 Infinity 0.847343 Infinity
15694
280 pt -2.39331 19.06226 -15.80485 -Infinity 0.745979 -Infinity
15695
281 pt -4.25566 19.13874 -15.49364 Infinity 0.742879 Infinity
15696
282 pt -2.07353 18.64940 -17.62098 Infinity 0.713320 Infinity
15697
283 pt -1.68242 19.08771 -8.26698 -Infinity 0.933901 -Infinity
15698
284 pt -3.51004 19.43634 -7.93633 Infinity 0.912270 Infinity
15699
285 pt -0.81901 18.65372 -6.64302 Infinity 0.995689 Infinity
15700
286 pt 0.52000 16.42954 -12.34772 -Infinity 0.934805 -Infinity
15701
287 pt -0.15325 16.97691 -10.66898 Infinity 0.971188 Infinity
15702
288 pt -0.61747 17.05878 -13.71932 Infinity 0.865958 Infinity
15703
289 pt 1.98065 6.69707 -10.83120 -Infinity 1.515937 -Infinity
15704
290 pt 2.12080 8.35914 -11.71941 Infinity 1.337337 Infinity
15705
291 pt 3.13419 6.68229 -9.33447 Infinity 1.678332 Infinity
15706
292 pt -3.42663 11.77689 -8.96840 -Infinity 1.359556 -Infinity
15707
293 pt -1.84662 12.20826 -8.02577 Infinity 1.431716 Infinity
15708
294 pt -4.79607 12.98904 -8.49258 Infinity 1.255455 Infinity
15709
295 pt -1.69236 17.86562 -20.75921 -Infinity 0.657141 -Infinity
15710
296 pt -2.77241 16.31591 -20.70484 Infinity 0.680603 Infinity
15711
297 pt -2.14214 18.89517 -22.27868 Infinity 0.610602 Infinity
15712
298 pt 2.49165 11.35974 -13.31675 -Infinity 1.080664 -Infinity
15713
299 pt 4.29091 11.88129 -13.56519 Infinity 1.017043 Infinity
15714
300 pt 1.45562 12.86984 -12.85057 Infinity 1.058161 Infinity
15715
301 pt 4.15250 19.68005 -14.52756 -Infinity 0.745111 -Infinity
15716
302 pt 4.10419 19.22717 -16.36158 Infinity 0.716186 Infinity
15717
303 pt 3.17465 18.40250 -13.53622 Infinity 0.812415 Infinity
15718
304 pt -5.34370 9.06368 -13.58434 -Infinity 1.103231 -Infinity
15719
305 pt -4.56432 10.12323 -12.22751 Infinity 1.179275 Infinity
15720
306 pt -7.21177 9.34763 -13.61180 Infinity 1.042542 Infinity
15721
307 pt 5.51933 12.74781 -7.79953 -Infinity 1.249115 -Infinity
15722
308 pt 6.84930 11.60320 -8.50103 Infinity 1.219995 Infinity
15723
309 pt 6.04123 14.54719 -8.04637 Infinity 1.103436 Infinity
15724
310 pt 7.55440 17.69532 -8.34983 -Infinity 0.900702 -Infinity
15725
311 pt 8.93145 16.86305 -7.35882 Infinity 0.918969 Infinity
15726
312 pt 8.25729 18.35604 -9.97478 Infinity 0.828675 Infinity
15727
313 pt 12.51244 8.26333 -17.98032 -Infinity 0.732371 -Infinity
15728
314 pt 12.76223 7.06122 -19.41684 Infinity 0.698264 Infinity
15729
315 pt 12.89609 10.02208 -18.55537 Infinity 0.697281 Infinity
15730
316 pt 15.15890 14.50931 -15.18404 -Infinity 0.674495 -Infinity
15731
317 pt 14.53034 13.69579 -16.76964 Infinity 0.667918 Infinity
15732
318 pt 16.96793 15.00876 -15.40546 Infinity 0.632408 Infinity
15733
319 pt 11.69219 13.42592 -11.37757 -Infinity 0.854861 -Infinity
15734
320 pt 13.10797 13.80735 -12.56968 Infinity 0.780162 Infinity
15735
321 pt 12.02058 14.26792 -9.71797 Infinity 0.862678 Infinity
15736
322 pt 19.34260 17.78521 -10.15277 -Infinity 0.615274 -Infinity
15737
323 pt 20.00734 18.81379 -11.59193 Infinity 0.579752 Infinity
15738
324 pt 17.61213 18.38886 -9.69215 Infinity 0.642670 Infinity
15739
325 pt 14.81931 20.47551 -9.64200 -Infinity 0.657751 -Infinity
15740
326 pt 12.98043 20.09699 -9.42676 Infinity 0.699960 Infinity
15741
327 pt 15.06827 21.53925 -11.18392 Infinity 0.620272 Infinity
15742
328 pt 14.98961 21.15041 -20.51338 -Infinity 0.525905 -Infinity
15743
329 pt 16.21386 22.53868 -20.89414 Infinity 0.498388 Infinity
15744
330 pt 13.51704 21.26689 -21.69195 Infinity 0.523652 Infinity
15745
331 pt 13.89715 12.83430 -19.90002 -Infinity 0.628986 -Infinity
15746
332 pt 15.54440 12.73368 -20.82060 Infinity 0.591785 Infinity
15747
333 pt 12.66682 13.84588 -20.91690 Infinity 0.617099 Infinity
15748
334 pt 19.90037 11.17114 -7.02001 -Infinity 0.710076 -Infinity
15749
335 pt 21.11675 11.41617 -8.44530 Infinity 0.663340 Infinity
15750
336 pt 19.66651 12.80624 -6.10195 Infinity 0.704769 Infinity
15751
337 pt 15.86266 7.87113 -13.98275 -Infinity 0.752157 -Infinity
15752
338 pt 14.54442 7.97841 -15.33248 Infinity 0.755202 Infinity
15753
339 pt 17.31746 8.99071 -14.43124 Infinity 0.698454 Infinity
15754
340 pt 16.39511 7.65081 -8.74053 -Infinity 0.843470 -Infinity
15755
341 pt 16.02358 7.79590 -10.58769 Infinity 0.820179 Infinity
15756
342 pt 17.57345 9.03467 -8.22335 Infinity 0.793754 Infinity
15757
343 pt 7.35600 12.96715 -14.14003 -Infinity 0.894689 -Infinity
15758
344 pt 7.55476 14.02923 -15.69037 Infinity 0.813267 Infinity
15759
345 pt 8.83938 13.23169 -12.99956 Infinity 0.892270 Infinity
15760
346 pt 9.16168 19.75380 -12.73455 -Infinity 0.723108 -Infinity
15761
347 pt 10.48556 19.52284 -14.06311 Infinity 0.687080 Infinity
15762
348 pt 7.45231 19.75247 -13.54022 Infinity 0.730999 Infinity
15763
349 pt 19.08923 7.72277 -19.74192 -Infinity 0.584275 -Infinity
15764
350 pt 19.73363 8.29807 -21.42264 Infinity 0.549984 Infinity
15765
351 pt 18.67400 5.88097 -19.82214 Infinity 0.594113 Infinity
15766
352 pt 19.79474 20.54211 -14.54933 -Infinity 0.539436 -Infinity
15767
353 pt 20.98724 21.54736 -15.61633 Infinity 0.507321 Infinity
15768
354 pt 18.17455 21.49337 -14.34643 Infinity 0.550649 Infinity
15769
355 pt 8.64408 15.94060 -18.12349 -Infinity 0.697316 -Infinity
15770
356 pt 9.97514 17.12259 -17.48928 Infinity 0.675058 Infinity
15771
357 pt 8.94242 15.57806 -19.95397 Infinity 0.659182 Infinity
15772
358 pt 8.82610 8.03358 -14.40710 -Infinity 0.948669 -Infinity
15773
359 pt 8.04664 9.75465 -14.44485 Infinity 0.940237 Infinity
15774
360 pt 10.17940 7.92487 -15.72156 Infinity 0.858298 Infinity
15775
361 pt 9.29235 9.05846 -9.37457 -Infinity 1.150280 -Infinity
15776
362 pt 10.64757 10.37468 -9.41936 Infinity 1.035880 Infinity
15777
363 pt 9.11065 8.28138 -11.08752 Infinity 1.093931 Infinity
15778
364 pt 12.59673 18.81046 -16.48611 -Infinity 0.632506 -Infinity
15779
365 pt 13.51650 19.77200 -17.82795 Infinity 0.588862 Infinity
15780
366 pt 13.68256 17.39197 -15.86973 Infinity 0.647990 Infinity
15781
367 pt 19.85646 15.93878 -16.90110 -Infinity 0.559860 -Infinity
15782
368 pt 19.89666 16.39186 -18.73526 Infinity 0.535912 Infinity
15783
369 pt 20.11653 17.49490 -15.86094 Infinity 0.553304 Infinity
15784
370 pt 20.01770 10.81345 -15.74679 -Infinity 0.609919 -Infinity
15785
371 pt 19.77106 9.70772 -17.25927 Infinity 0.600323 Infinity
15786
372 pt 20.13916 12.61723 -16.29697 Infinity 0.588652 Infinity
15787
373 pt -10.99977 -18.26673 -1.58816 -Infinity 0.660354 -Infinity
15788
374 pt -12.19117 -16.96507 -0.91191 Infinity 0.677621 Infinity
15789
375 pt -9.67840 -17.42452 -2.64444 Infinity 0.696661 Infinity
15790
376 pt -17.07083 -16.08790 3.90696 -Infinity 0.611929 -Infinity
15791
377 pt -15.88624 -15.62048 2.51078 Infinity 0.644753 Infinity
15792
378 pt -17.82565 -14.52064 4.64522 Infinity 0.623937 Infinity
15793
379 pt -7.64994 -15.34516 -4.31900 -Infinity 0.780909 -Infinity
15794
380 pt -5.84106 -15.10073 -3.82983 Infinity 0.814775 Infinity
15795
381 pt -8.56352 -13.69504 -4.20268 Infinity 0.828837 Infinity
15796
382 pt -18.71629 -16.46953 -4.51881 -Infinity 0.586999 -Infinity
15797
383 pt -19.33043 -15.17994 -3.28153 Infinity 0.601190 Infinity
15798
384 pt -19.81720 -16.44496 -6.05454 Infinity 0.567064 Infinity
15799
385 pt -9.86957 -10.73162 -3.77468 -Infinity 0.926369 -Infinity
15800
386 pt -8.61630 -10.35946 -2.41017 Infinity 0.991109 Infinity
15801
387 pt -11.58602 -10.16103 -3.22759 Infinity 0.902801 Infinity
15802
388 pt -10.02704 -11.78005 3.35271 -Infinity 0.861748 -Infinity
15803
389 pt -8.56522 -11.65389 2.16181 Infinity 0.914013 Infinity
15804
390 pt -10.23787 -10.14071 4.26878 Infinity 0.909080 Infinity
15805
391 pt -13.61008 -14.11735 0.31860 -Infinity 0.726641 -Infinity
15806
392 pt -12.36112 -13.30666 1.48219 Infinity 0.771243 Infinity
15807
393 pt -14.28235 -12.82488 -0.88499 Infinity 0.748804 Infinity
15808
394 pt -18.89251 -11.57912 5.90746 -Infinity 0.646028 -Infinity
15809
395 pt -17.49418 -10.44902 6.48936 Infinity 0.688824 Infinity
15810
396 pt -19.96402 -10.66109 4.65042 Infinity 0.647482 Infinity
15811
397 pt -17.70216 -20.26342 6.80328 -Infinity 0.526230 -Infinity
15812
398 pt -18.03039 -19.64990 8.56025 Infinity 0.522510 Infinity
15813
399 pt -17.52633 -18.78390 5.64087 Infinity 0.554397 Infinity
15814
400 pt -16.47243 -7.48574 1.83749 -Infinity 0.818374 -Infinity
15815
401 pt -15.80436 -7.69942 3.59222 Infinity 0.821157 Infinity
15816
402 pt -18.32419 -7.86210 1.81718 Infinity 0.751771 Infinity
15817
403 pt -10.83510 -16.28219 6.09084 -Infinity 0.681193 -Infinity
15818
404 pt -10.06554 -17.55492 4.92508 Infinity 0.668075 Infinity
15819
405 pt -10.60374 -14.54902 5.37413 Infinity 0.737128 Infinity
15820
406 pt -14.75564 -9.61333 -2.50365 -Infinity 0.824947 -Infinity
15821
407 pt -15.44173 -8.47213 -3.84455 Infinity 0.828661 Infinity
15822
408 pt -15.26894 -8.96859 -0.80309 Infinity 0.829302 Infinity
15823
409 pt -15.26509 -7.85029 6.85545 -Infinity 0.791712 -Infinity
15824
410 pt -13.44174 -7.38507 6.68220 Infinity 0.861333 Infinity
15825
411 pt -16.24579 -6.34822 7.44967 Infinity 0.784643 Infinity
15826
412 pt -9.15442 -20.04401 2.90455 -Infinity 0.628150 -Infinity
15827
413 pt -9.72709 -21.82638 3.16201 Infinity 0.584774 Infinity
15828
414 pt -9.67216 -19.45717 1.18449 Infinity 0.642726 Infinity
15829
415 pt 4.74258 -10.87172 2.62637 -Infinity 1.005539 -Infinity
15830
416 pt 5.45485 -12.53618 3.16796 Infinity 0.899340 Infinity
15831
417 pt 5.78504 -9.47292 3.35280 Infinity 1.049024 Infinity
15832
418 pt 1.39284 -12.03771 -5.60170 -Infinity 0.972260 -Infinity
15833
419 pt 1.90546 -13.30981 -6.90172 Infinity 0.883376 Infinity
15834
420 pt 2.79707 -11.80478 -4.35875 Infinity 0.989442 Infinity
15835
421 pt -5.13490 -20.95882 6.01154 -Infinity 0.615822 -Infinity
15836
422 pt -4.30843 -22.59384 5.54818 Infinity 0.586194 Infinity
15837
423 pt -6.38209 -20.48113 4.67461 Infinity 0.628834 Infinity
15838
424 pt 0.80651 -14.65012 6.66279 -Infinity 0.803823 -Infinity
15839
425 pt 1.28652 -15.88758 5.31767 Infinity 0.775593 Infinity
15840
426 pt 0.34535 -12.99968 5.86628 Infinity 0.886339 Infinity
15841
427 pt 2.05844 -18.14120 3.17918 -Infinity 0.715990 -Infinity
15842
428 pt 2.05712 -19.83688 4.01329 Infinity 0.662219 Infinity
15843
429 pt 0.99256 -18.20418 1.62002 Infinity 0.725206 Infinity
15844
430 pt 5.51210 -11.81957 -2.46073 -Infinity 0.958223 -Infinity
15845
431 pt 5.14301 -11.37462 -0.66160 Infinity 0.994014 Infinity
15846
432 pt 6.27711 -13.54572 -2.53960 Infinity 0.861228 Infinity
15847
433 pt 3.41913 -19.86918 -3.86379 -Infinity 0.666338 -Infinity
15848
434 pt 3.58603 -20.32872 -5.68918 Infinity 0.646082 Infinity
15849
435 pt 3.85301 -21.36547 -2.79425 Infinity 0.628603 Infinity
15850
436 pt 6.55189 -15.50131 3.81207 -Infinity 0.761627 -Infinity
15851
437 pt 7.58632 -16.40609 5.10914 Infinity 0.710715 Infinity
15852
438 pt 5.02947 -16.53620 3.38510 Infinity 0.747161 Infinity
15853
439 pt -0.79122 -18.45813 -1.21444 -Infinity 0.724179 -Infinity
15854
440 pt 0.69390 -18.89522 -2.29815 Infinity 0.707877 Infinity
15855
441 pt -2.03096 -19.88416 -1.23801 Infinity 0.679130 Infinity
15856
442 pt -2.83509 -13.97797 -2.79862 -Infinity 0.897061 -Infinity
15857
443 pt -1.49241 -13.11309 -3.80870 Infinity 0.941189 Infinity
15858
444 pt -2.12830 -15.55071 -2.02533 Infinity 0.830336 Infinity
15859
445 pt -0.17212 -10.23512 4.23728 -Infinity 1.076314 -Infinity
15860
446 pt 1.57479 -10.29570 3.51915 Infinity 1.077942 Infinity
15861
447 pt -1.26927 -9.15872 3.13787 Infinity 1.186130 Infinity
15862
448 pt -6.12881 -10.84941 -0.06946 -Infinity 1.031753 -Infinity
15863
449 pt -4.94119 -12.04281 -0.92763 Infinity 0.984535 Infinity
15864
450 pt -5.18635 -9.30526 0.47683 Infinity 1.160531 Infinity
15865
451 pt 7.76587 -7.18949 4.61040 -Infinity 1.079901 -Infinity
15866
452 pt 9.38295 -7.68425 3.76699 Infinity 1.009860 Infinity
15867
453 pt 8.12032 -6.64740 6.38567 Infinity 1.038754 Infinity
15868
454 pt 17.83888 -21.01196 -0.73843 -Infinity 0.520121 -Infinity
15869
455 pt 16.80782 -21.52340 0.76038 Infinity 0.522369 Infinity
15870
456 pt 17.74481 -19.13751 -0.95902 Infinity 0.547544 Infinity
15871
457 pt 10.07091 -19.80000 0.44173 -Infinity 0.620400 -Infinity
15872
458 pt 8.83641 -20.63469 1.60379 Infinity 0.611327 Infinity
15873
459 pt 11.72870 -19.59367 1.32504 Infinity 0.606098 Infinity
15874
460 pt 17.98758 -20.08073 -6.03316 -Infinity 0.524277 -Infinity
15875
461 pt 16.66586 -20.87587 -7.12489 Infinity 0.523379 Infinity
15876
462 pt 17.82063 -20.72972 -4.26624 Infinity 0.521316 Infinity
15877
463 pt 16.77543 -16.03419 -1.64681 -Infinity 0.609982 -Infinity
15878
464 pt 16.47152 -16.29732 -3.49328 Infinity 0.607520 Infinity
15879
465 pt 15.31657 -15.09788 -0.89440 Infinity 0.651335 Infinity
15880
466 pt 21.35337 -8.75198 2.25170 -Infinity 0.630582 -Infinity
15881
467 pt 20.93489 -10.03359 0.92753 Infinity 0.626509 Infinity
15882
468 pt 20.19563 -7.26812 2.08184 Infinity 0.676907 Infinity
15883
469 pt 20.71889 -12.57715 -1.40567 -Infinity 0.598199 -Infinity
15884
470 pt 19.86508 -11.24471 -2.43847 Infinity 0.632384 Infinity
15885
471 pt 19.53435 -14.02546 -1.14047 Infinity 0.598124 Infinity
15886
472 pt 8.75085 -8.62873 -5.08565 -Infinity 1.003206 -Infinity
15887
473 pt 7.48728 -9.63931 -4.10933 Infinity 1.008981 Infinity
15888
474 pt 7.93409 -7.92864 -6.63930 Infinity 1.036846 Infinity
15889
475 pt 13.08369 -11.32582 -4.44239 -Infinity 0.778861 -Infinity
15890
476 pt 11.55386 -10.28220 -4.81861 Infinity 0.848816 Infinity
15891
477 pt 12.89102 -12.13987 -2.74790 Infinity 0.768677 Infinity
15892
478 pt 12.69861 -8.82522 2.88447 -Infinity 0.858932 -Infinity
15893
479 pt 13.18548 -8.66098 4.70300 Infinity 0.827763 Infinity
15894
480 pt 13.06557 -7.20474 1.98422 Infinity 0.904962 Infinity
15895
481 pt 7.36721 -16.67962 -2.84939 -Infinity 0.730619 -Infinity
15896
482 pt 5.80780 -17.68138 -3.21786 Infinity 0.715302 Infinity
15897
483 pt 8.43284 -17.60929 -1.59590 Infinity 0.692861 Infinity
15898
484 pt 17.75984 -9.22630 -3.76178 -Infinity 0.709831 -Infinity
15899
485 pt 16.06501 -10.02631 -4.00392 Infinity 0.736640 Infinity
15900
486 pt 17.67783 -7.40820 -4.27056 Infinity 0.742447 Infinity
15901
487 pt 10.41894 -17.56461 -7.19963 -Infinity 0.648681 -Infinity
15902
488 pt 11.16534 -19.14737 -6.48630 Infinity 0.610614 Infinity
15903
489 pt 9.21864 -16.81336 -5.94824 Infinity 0.689508 Infinity
15904
490 pt 14.38782 -19.25403 3.15849 -Infinity 0.578254 -Infinity
15905
491 pt 15.53902 -17.75700 3.08970 Infinity 0.590407 Infinity
15906
492 pt 14.13487 -19.77329 4.95777 Infinity 0.565492 Infinity
15907
493 pt 12.70395 -13.36258 0.30635 -Infinity 0.740099 -Infinity
15908
494 pt 11.22990 -14.37823 0.91192 Infinity 0.739489 Infinity
15909
495 pt 12.80416 -11.74984 1.28620 Infinity 0.779437 Infinity
15910
496 pt -21.21176 -2.74352 -5.23845 -Infinity 0.728838 -Infinity
15911
497 pt -20.62476 -1.83661 -6.78893 Infinity 0.743713 Infinity
15912
498 pt -22.97511 -3.36934 -5.50310 Infinity 0.671037 Infinity
15913
499 pt -9.82237 2.07312 -3.93727 -Infinity 1.648151 -Infinity
15914
500 pt -11.01955 2.75680 -5.22972 Infinity 1.426832 Infinity
15915
501 pt -8.05343 2.54880 -4.40166 Infinity 1.960536 Infinity
15916
502 pt -7.84174 2.66253 6.20742 -Infinity 1.551378 -Infinity
15917
503 pt -6.93559 2.18113 4.62053 Infinity 1.858499 Infinity
15918
504 pt -9.69659 2.77737 5.86477 Infinity 1.396107 Infinity
15919
505 pt -15.02455 -3.39123 -0.90353 -Infinity 1.001001 -Infinity
15920
506 pt -15.72489 -4.71163 0.25281 Infinity 0.926479 Infinity
15921
507 pt -15.44505 -3.83182 -2.69242 Infinity 0.961553 Infinity
15922
508 pt -15.66201 5.16401 -2.15399 -Infinity 1.054385 -Infinity
15923
509 pt -17.37758 4.68697 -2.78670 Infinity 0.947019 Infinity
15924
510 pt -14.89413 3.69608 -1.24482 Infinity 1.121122 Infinity
15925
511 pt -13.07787 1.29958 0.05320 -Infinity 1.261695 -Infinity
15926
512 pt -11.72321 1.54478 -1.24134 Infinity 1.423263 Infinity
15927
513 pt -13.91130 -0.37508 -0.21509 Infinity 1.154162 Infinity
15928
514 pt -13.04266 2.70866 5.09844 -Infinity 1.150971 -Infinity
15929
515 pt -13.00606 2.23875 3.26843 Infinity 1.213956 Infinity
15930
516 pt -14.21247 1.54883 6.02440 Infinity 1.034053 Infinity
15931
517 pt -20.06184 3.36761 -3.83544 -Infinity 0.814022 -Infinity
15932
518 pt -21.27056 3.45177 -5.28561 Infinity 0.758343 Infinity
15933
519 pt -20.58930 1.99070 -2.65351 Infinity 0.795697 Infinity
15934
520 pt -10.48389 -4.41557 1.33638 -Infinity 1.241304 -Infinity
15935
521 pt -12.10646 -4.03128 0.44720 Infinity 1.156893 Infinity
15936
522 pt -9.03437 -3.76453 0.31358 Infinity 1.427921 Infinity
15937
523 pt -13.47419 4.66650 -6.82696 -Infinity 1.131352 -Infinity
15938
524 pt -14.38481 4.95985 -5.19730 Infinity 1.107351 Infinity
15939
525 pt -14.72487 4.26203 -8.18463 Infinity 1.010548 Infinity
15940
526 pt -16.69780 -5.62434 -5.35651 -Infinity 0.841331 -Infinity
15941
527 pt -18.39320 -4.79025 -5.38778 Infinity 0.795239 Infinity
15942
528 pt -15.56953 -4.80836 -6.63410 Infinity 0.887681 Infinity
15943
529 pt -10.19211 -6.99024 5.65675 -Infinity 1.014437 -Infinity
15944
530 pt -10.38534 -6.03807 4.03592 Infinity 1.094505 Infinity
15945
531 pt -8.51457 -6.58843 6.42843 Infinity 1.073141 Infinity
15946
532 pt 5.52739 2.65014 -4.06067 -Infinity 2.354854 -Infinity
15947
533 pt 6.35195 3.17834 -2.44445 Infinity 2.303425 Infinity
15948
534 pt 5.39336 4.13907 -5.21661 Infinity 2.230293 Infinity
15949
535 pt -1.60006 -3.19207 4.38460 -Infinity 1.816028 -Infinity
15950
536 pt -1.72761 -1.30796 4.45473 Infinity 2.126717 Infinity
15951
537 pt 0.21918 -3.69935 4.32057 Infinity 1.743742 Infinity
15952
538 pt -4.89815 3.24662 -4.94567 -Infinity 2.767527 -Infinity
15953
539 pt -5.04716 5.07103 -5.41514 Infinity 2.484162 Infinity
15954
540 pt -3.65269 3.05726 -3.53712 Infinity 4.120668 Infinity
15955
541 pt 0.58719 1.91585 5.69951 -Infinity 2.237350 -Infinity
15956
542 pt 0.32007 3.74585 6.08787 Infinity 2.193952 Infinity
15957
543 pt 2.28301 1.68168 4.89924 Infinity 2.306665 Infinity
15958
544 pt -3.04632 -6.84228 1.07758 -Infinity 1.460608 -Infinity
15959
545 pt -2.80695 -6.13149 -0.65694 Infinity 1.599127 Infinity
15960
546 pt -2.69090 -5.50324 2.36276 Infinity 1.604926 Infinity
15961
547 pt -7.05567 -2.18751 -1.77846 -Infinity 1.862899 -Infinity
15962
548 pt -7.91458 -1.08956 -3.05433 Infinity 1.817314 Infinity
15963
549 pt -5.46253 -2.88557 -2.51717 Infinity 1.961499 Infinity
15964
550 pt -2.43542 -4.22658 -3.42350 -Infinity 1.903398 -Infinity
15965
551 pt -2.14843 -5.47040 -4.81692 Infinity 1.603026 Infinity
15966
552 pt -1.03109 -2.96221 -3.40722 Infinity 2.267629 Infinity
15967
553 pt -5.62529 6.77305 1.45768 -Infinity 2.445417 -Infinity
15968
554 pt -6.71581 7.49059 0.09131 Infinity 2.158442 Infinity
15969
555 pt -5.83182 4.89535 1.50908 Infinity 2.683103 Infinity
15970
556 pt -5.66810 1.48065 1.69981 -Infinity 2.661991 -Infinity
15971
557 pt -3.99865 1.86180 0.90061 Infinity 3.922989 Infinity
15972
558 pt -6.52095 0.08948 0.74672 Infinity 2.297630 Infinity
15973
559 pt 1.94020 -1.34693 -4.30056 -Infinity 2.431601 -Infinity
15974
560 pt 3.24990 -0.00538 -4.06392 Infinity 2.588944 Infinity
15975
561 pt 2.26623 -2.26872 -5.91768 Infinity 1.939741 Infinity
15976
562 pt 5.34756 1.04923 3.70825 -Infinity 1.999933 -Infinity
15977
563 pt 5.98982 2.14258 2.30713 Infinity 2.152712 Infinity
15978
564 pt 6.65078 0.94141 5.07246 Infinity 1.629286 Infinity
15979
565 pt 3.61035 -3.88119 4.41975 -Infinity 1.561151 -Infinity
15980
566 pt 4.99800 -5.15308 4.25310 Infinity 1.364827 Infinity
15981
567 pt 4.23673 -2.18743 3.86305 Infinity 1.765795 Infinity
15982
568 pt 16.55098 -4.56507 -5.66568 -Infinity 0.820222 -Infinity
15983
569 pt 16.10202 -5.29853 -7.34840 Infinity 0.803540 Infinity
15984
570 pt 14.97081 -4.12486 -4.72740 Infinity 0.902496 Infinity
15985
571 pt 12.32977 3.20161 -0.44966 -Infinity 1.247960 -Infinity
15986
572 pt 12.49387 2.07325 1.05730 Infinity 1.208299 Infinity
15987
573 pt 14.03885 3.51422 -1.19289 Infinity 1.102339 Infinity
15988
574 pt 12.85310 0.36468 3.80632 -Infinity 1.096538 -Infinity
15989
575 pt 11.46515 0.47487 5.08401 Infinity 1.157070 Infinity
15990
576 pt 14.32255 1.40539 4.37966 Infinity 1.003286 Infinity
15991
577 pt 16.39471 3.96915 5.44334 -Infinity 0.883911 -Infinity
15992
578 pt 15.99966 5.80753 5.25526 Infinity 0.899508 Infinity
15993
579 pt 16.08589 3.43703 7.23011 Infinity 0.862701 Infinity
15994
580 pt 21.27508 3.59124 3.64663 -Infinity 0.718149 -Infinity
15995
581 pt 19.48454 3.60088 4.25074 Infinity 0.773790 Infinity
15996
582 pt 21.52872 2.15274 2.44769 Infinity 0.715560 Infinity
15997
583 pt 17.24679 3.47794 -2.06959 -Infinity 0.900739 -Infinity
15998
584 pt 18.23170 2.11593 -1.20590 Infinity 0.851501 Infinity
15999
585 pt 17.41560 3.28798 -3.94215 Infinity 0.882069 Infinity
16000
586 pt 18.49154 -4.12954 2.42115 -Infinity 0.767806 -Infinity
16001
587 pt 16.73925 -4.20485 1.71767 Infinity 0.834570 Infinity
16002
588 pt 18.41250 -4.09154 4.30884 Infinity 0.756430 Infinity
16003
589 pt 7.53357 4.48700 0.40331 -Infinity 1.972191 -Infinity
16004
590 pt 7.59406 6.06611 1.43957 Infinity 1.836233 Infinity
16005
591 pt 9.29019 3.97392 -0.06798 Infinity 1.635671 Infinity
16006
592 pt 20.65249 -0.46879 -0.62065 -Infinity 0.742014 -Infinity
16007
593 pt 21.10073 -1.36663 -2.22190 Infinity 0.720142 Infinity
16008
594 pt 19.94429 -1.70626 0.61959 Infinity 0.754221 Infinity
16009
595 pt 13.52227 -4.06900 1.02423 -Infinity 0.989299 -Infinity
16010
596 pt 13.09220 -2.48997 1.96911 Infinity 1.049687 Infinity
16011
597 pt 12.74060 -4.00811 -0.69517 Infinity 1.043346 Infinity
16012
598 pt 9.09712 -0.64342 -6.27013 -Infinity 1.359410 -Infinity
16013
599 pt 7.84480 0.56110 -5.52721 Infinity 1.602237 Infinity
16014
600 pt 9.85213 0.11293 -7.82864 Infinity 1.241330 Infinity
16015
601 pt 11.56978 -4.32771 -3.74550 -Infinity 1.084046 -Infinity
16016
602 pt 10.70353 -2.87590 -4.58983 Infinity 1.186956 Infinity
16017
603 pt 10.59355 -5.91476 -4.06068 Infinity 1.066265 Infinity
16018
604 pt -14.37489 14.79257 2.86219 -Infinity 0.877015 -Infinity
16019
605 pt -15.47905 14.28181 1.41616 Infinity 0.862856 Infinity
16020
606 pt -15.30356 14.53327 4.48743 Infinity 0.832986 Infinity
16021
607 pt -12.43164 7.91277 5.06407 -Infinity 1.139244 -Infinity
16022
608 pt -12.77931 6.05652 5.13127 Infinity 1.150797 Infinity
16023
609 pt -13.04589 8.61058 3.41882 Infinity 1.127999 Infinity
16024
610 pt -20.46172 8.37994 1.57159 -Infinity 0.775892 -Infinity
16025
611 pt -21.62527 8.42576 0.08326 Infinity 0.739890 Infinity
16026
612 pt -20.40127 6.62562 2.27144 Infinity 0.787315 Infinity
16027
613 pt -10.86252 18.03317 4.58925 -Infinity 0.857171 -Infinity
16028
614 pt -11.65106 19.20654 5.84323 Infinity 0.784166 Infinity
16029
615 pt -12.20393 16.96664 3.79287 Infinity 0.868166 Infinity
16030
616 pt -7.62740 9.69343 5.20696 -Infinity 1.414710 -Infinity
16031
617 pt -9.43537 9.14433 5.23531 Infinity 1.305444 Infinity
16032
618 pt -6.70486 8.75718 3.84924 Infinity 1.687481 Infinity
16033
619 pt -7.64291 14.62145 6.82715 -Infinity 1.041519 -Infinity
16034
620 pt -8.81645 15.74988 5.86771 Infinity 0.981210 Infinity
16035
621 pt -7.64061 12.90154 6.04421 Infinity 1.163340 Infinity
16036
622 pt -20.78295 18.64519 -0.96947 -Infinity 0.634248 -Infinity
16037
623 pt -22.28422 19.79280 -0.95368 Infinity 0.590075 Infinity
16038
624 pt -20.09737 18.47897 0.78365 Infinity 0.649070 Infinity
16039
625 pt -18.03112 12.78641 -0.37097 -Infinity 0.809667 -Infinity
16040
626 pt -18.79751 11.19561 0.30214 Infinity 0.807928 Infinity
16041
627 pt -19.39700 14.04201 -0.73004 Infinity 0.742395 Infinity
16042
628 pt -19.67270 18.34853 4.18051 -Infinity 0.646965 -Infinity
16043
629 pt -19.07920 19.95699 4.97529 Infinity 0.628288 Infinity
16044
630 pt -18.93722 16.87665 5.10988 Infinity 0.680188 Infinity
16045
631 pt -7.81311 14.55523 -7.57306 -Infinity 1.087832 -Infinity
16046
632 pt -7.71574 15.21060 -5.80329 Infinity 1.104174 Infinity
16047
633 pt -9.55634 13.90899 -7.91156 Infinity 1.043057 Infinity
16048
634 pt -12.91456 19.83860 -2.99530 -Infinity 0.779145 -Infinity
16049
635 pt -14.66101 20.20464 -3.61741 Infinity 0.728323 Infinity
16050
636 pt -12.10813 21.44060 -2.40004 Infinity 0.749942 Infinity
16051
637 pt -8.87660 13.43908 0.41733 -Infinity 1.227573 -Infinity
16052
638 pt -10.53234 13.62315 1.30935 Infinity 1.111829 Infinity
16053
639 pt -8.81469 11.76606 -0.45916 Infinity 1.368897 Infinity
16054
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16067
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902 pt -0.78443 3.53731 21.08997 Infinity 0.721039 Infinity
16317
903 pt -0.44436 0.58157 20.26854 Infinity 0.741422 Infinity
16318
904 pt -7.25769 -1.01792 9.68711 -Infinity 1.186668 -Infinity
16319
905 pt -7.36192 0.34403 8.38123 Infinity 1.324447 Infinity
16320
906 pt -6.38326 -0.35238 11.22447 Infinity 1.128377 Infinity
16321
907 pt -3.60304 -3.69805 15.84667 -Infinity 0.855666 -Infinity
16322
908 pt -4.30929 -2.14053 15.04269 Infinity 0.912387 Infinity
16323
909 pt -2.90856 -3.26892 17.55096 Infinity 0.799482 Infinity
16324
910 pt -5.16822 0.93584 13.95799 -Infinity 1.001761 -Infinity
16325
911 pt -6.27962 2.26872 14.70584 Infinity 0.948880 Infinity
16326
912 pt -3.36800 1.50709 14.02089 Infinity 1.030360 Infinity
16327
913 pt -5.45418 -5.22758 7.37469 -Infinity 1.216468 -Infinity
16328
914 pt -6.16250 -3.72513 8.27581 Infinity 1.219494 Infinity
16329
915 pt -4.07588 -4.67141 6.20763 Infinity 1.383435 Infinity
16330
916 pt -1.29326 -2.63744 20.40035 -Infinity 0.714374 -Infinity
16331
917 pt 0.00075 -3.99019 20.14215 Infinity 0.709110 Infinity
16332
918 pt -2.05263 -2.81105 22.12206 Infinity 0.662980 Infinity
16333
919 pt 3.32394 6.59266 15.37576 -Infinity 0.931092 -Infinity
16334
920 pt 2.22603 7.99704 16.00295 Infinity 0.895064 Infinity
16335
921 pt 2.28477 5.02981 15.15510 Infinity 0.965933 Infinity
16336
922 pt 3.11322 -0.68140 13.59847 -Infinity 1.015896 -Infinity
16337
923 pt 1.91026 0.64293 14.20683 Infinity 1.013266 Infinity
16338
924 pt 2.53741 -1.33427 11.92119 Infinity 1.120660 Infinity
16339
925 pt 1.77229 -1.95877 8.96306 -Infinity 1.360924 -Infinity
16340
926 pt 2.51964 -3.14044 7.69176 Infinity 1.387398 Infinity
16341
927 pt 1.02326 -0.46824 8.07516 Infinity 1.569828 Infinity
16342
928 pt -5.02902 6.57723 8.59095 -Infinity 1.439459 -Infinity
16343
929 pt -5.85159 4.98088 8.00264 Infinity 1.504364 Infinity
16344
930 pt -5.90138 8.06107 7.81102 Infinity 1.409860 Infinity
16345
931 pt 5.15097 3.62175 19.56523 -Infinity 0.746638 -Infinity
16346
932 pt 3.39601 2.93911 19.72394 Infinity 0.754683 Infinity
16347
933 pt 5.16425 5.04530 18.32249 Infinity 0.788638 Infinity
16348
934 pt -0.39771 3.00873 14.94090 -Infinity 0.996179 -Infinity
16349
935 pt -1.45900 4.50417 14.48440 Infinity 1.022439 Infinity
16350
936 pt -0.36954 2.80484 16.81938 Infinity 0.891722 Infinity
16351
937 pt -6.64425 3.06741 20.98054 -Infinity 0.698460 -Infinity
16352
938 pt -8.05623 3.05400 22.23640 Infinity 0.652722 Infinity
16353
939 pt -5.08996 3.77880 21.78624 Infinity 0.685815 Infinity
16354
940 pt -3.54158 6.82065 13.62283 -Infinity 1.040151 -Infinity
16355
941 pt -4.02153 6.90553 11.79704 Infinity 1.160865 Infinity
16356
942 pt -5.07584 6.45005 14.66196 Infinity 0.960613 Infinity
16357
943 pt 15.28954 2.36985 10.19334 -Infinity 0.822749 -Infinity
16358
944 pt 14.41916 3.27122 11.60793 Infinity 0.816559 Infinity
16359
945 pt 15.82135 0.65151 10.77261 Infinity 0.784262 Infinity
16360
946 pt 13.60356 5.48760 20.47039 -Infinity 0.619182 -Infinity
16361
947 pt 15.05713 4.42864 21.05075 Infinity 0.590802 Infinity
16362
948 pt 14.20978 6.75061 19.20218 Infinity 0.633291 Infinity
16363
949 pt 17.83246 -4.42490 7.54907 -Infinity 0.732952 -Infinity
16364
950 pt 17.61321 -3.43547 9.14407 Infinity 0.727633 Infinity
16365
951 pt 16.41986 -5.66854 7.37882 Infinity 0.757970 Infinity
16366
952 pt 20.63972 -5.69244 17.81690 -Infinity 0.535626 -Infinity
16367
953 pt 22.06785 -6.15055 18.96654 Infinity 0.503868 Infinity
16368
954 pt 19.21926 -6.91544 18.05699 Infinity 0.543153 Infinity
16369
955 pt 9.03177 -5.69477 9.46747 -Infinity 0.938904 -Infinity
16370
956 pt 8.50798 -6.82408 10.88922 Infinity 0.874102 Infinity
16371
957 pt 8.73232 -3.89243 9.95014 Infinity 0.983519 Infinity
16372
958 pt 8.08021 -1.06663 11.74698 -Infinity 0.990140 -Infinity
16373
959 pt 9.12326 -1.17998 13.31869 Infinity 0.888876 Infinity
16374
960 pt 6.27345 -0.76191 12.20938 Infinity 1.026962 Infinity
16375
961 pt 7.59027 6.14260 8.18668 -Infinity 1.275196 -Infinity
16376
962 pt 5.89005 6.69736 8.79706 Infinity 1.315318 Infinity
16377
963 pt 8.92505 6.80632 9.34810 Infinity 1.110646 Infinity
16378
964 pt 16.80376 -2.32912 12.31045 -Infinity 0.704932 -Infinity
16379
965 pt 15.60889 -3.45022 13.25197 Infinity 0.704286 Infinity
16380
966 pt 18.35499 -2.04460 13.35151 Infinity 0.654872 Infinity
16381
967 pt 10.05784 -1.84146 16.49902 -Infinity 0.753009 -Infinity
16382
968 pt 10.18836 -0.51533 17.83896 Infinity 0.722523 Infinity
16383
969 pt 8.44494 -2.80179 16.71672 Infinity 0.763475 Infinity
16384
970 pt 9.02813 1.27670 7.27225 -Infinity 1.240832 -Infinity
16385
971 pt 8.88814 0.32546 8.89909 Infinity 1.133705 Infinity
16386
972 pt 8.66399 3.10572 7.57747 Infinity 1.268482 Infinity
16387
973 pt 10.01207 1.83638 20.06946 -Infinity 0.674881 -Infinity
16388
974 pt 8.23302 2.46527 19.96682 Infinity 0.700544 Infinity
16389
975 pt 11.18350 3.29650 20.32801 Infinity 0.655420 Infinity
16390
976 pt 13.02417 4.68103 14.39936 -Infinity 0.776942 -Infinity
16391
977 pt 14.17957 5.93934 15.20732 Infinity 0.725345 Infinity
16392
978 pt 12.54695 3.35995 15.66351 Infinity 0.753140 Infinity
16393
979 pt 20.48377 -0.73546 19.46276 -Infinity 0.538583 -Infinity
16394
980 pt 21.58447 -0.96895 20.98099 Infinity 0.506771 Infinity
16395
981 pt 20.28909 -2.38668 18.56463 Infinity 0.547023 Infinity
16396
982 pt 13.50885 -5.46811 15.27662 -Infinity 0.683591 -Infinity
16397
983 pt 13.04466 -6.89550 16.42472 Infinity 0.652111 Infinity
16398
984 pt 12.36489 -3.99948 15.60149 Infinity 0.713297 Infinity
16399
985 pt -8.55976 13.14482 11.60943 -Infinity 0.897716 -Infinity
16400
986 pt -9.33515 11.43106 11.42803 Infinity 0.929802 Infinity
16401
987 pt -8.19325 13.85593 9.89740 Infinity 0.946736 Infinity
16402
988 pt -10.43540 18.37426 18.47158 -Infinity 0.604940 -Infinity
16403
989 pt -10.09193 17.95508 20.28193 Infinity 0.582429 Infinity
16404
990 pt -10.76313 16.78285 17.50666 Infinity 0.640095 Infinity
16405
991 pt -11.44291 8.86346 17.26625 -Infinity 0.727555 -Infinity
16406
992 pt -12.84567 7.74341 16.67562 Infinity 0.727255 Infinity
16407
993 pt -11.11900 8.55420 19.10214 Infinity 0.685829 Infinity
16408
994 pt -11.82220 13.92481 15.61235 -Infinity 0.706151 -Infinity
16409
995 pt -11.79540 12.21857 16.42421 Infinity 0.709827 Infinity
16410
996 pt -10.65670 13.93414 14.12487 Infinity 0.761615 Infinity
16411
997 pt -17.72014 14.22438 6.78913 -Infinity 0.737982 -Infinity
16412
998 pt -19.25307 13.23262 6.30169 Infinity 0.717569 Infinity
16413
999 pt -17.17029 13.72298 8.52618 Infinity 0.736885 Infinity
16414
1000 pt -16.78844 12.13271 11.60132 -Infinity 0.717212 -Infinity
16415
1001 pt -17.48318 10.39531 11.86564 Infinity 0.715156 Infinity
16416
1002 pt -14.97921 12.17824 12.14507 Infinity 0.748218 Infinity
16417
1003 pt -11.12400 8.79057 10.23757 -Infinity 0.978520 -Infinity
16418
1004 pt -11.71678 8.82632 8.44358 Infinity 1.026298 Infinity
16419
1005 pt -11.29041 7.03711 10.92223 Infinity 0.971128 Infinity
16420
1006 pt -21.45678 14.31271 12.50288 -Infinity 0.589545 -Infinity
16421
1007 pt -21.54153 15.99518 13.35914 Infinity 0.564565 Infinity
16422
1008 pt -19.64984 13.79728 12.30202 Infinity 0.628456 Infinity
16423
1009 pt -16.10633 17.16415 16.42899 -Infinity 0.590761 -Infinity
16424
1010 pt -14.88177 15.81374 15.93106 Infinity 0.630032 Infinity
16425
1011 pt -15.33966 18.86107 16.10689 Infinity 0.584956 Infinity
16426
1012 pt -7.99356 20.83351 10.28600 -Infinity 0.727876 -Infinity
16427
1013 pt -9.74673 20.75069 9.58558 Infinity 0.719797 Infinity
16428
1014 pt -6.77769 21.23807 8.89709 Infinity 0.753378 Infinity
16429
1015 pt -0.48096 9.94792 16.49141 -Infinity 0.855193 -Infinity
16430
1016 pt -1.63715 8.87621 15.44943 Infinity 0.918673 Infinity
16431
1017 pt -1.23474 11.66782 16.70313 Infinity 0.817725 Infinity
16432
1018 pt 3.68073 8.66126 10.59626 -Infinity 1.192502 -Infinity
16433
1019 pt 3.34556 7.55119 12.08840 Infinity 1.118635 Infinity
16434
1020 pt 4.73091 10.13819 11.13185 Infinity 1.079519 Infinity
16435
1021 pt -1.30133 18.55492 10.05201 -Infinity 0.856112 -Infinity
16436
1022 pt -1.82918 17.95008 8.34128 Infinity 0.927469 Infinity
16437
1023 pt -2.56977 17.99795 11.33728 Infinity 0.835328 Infinity
16438
1024 pt -2.85348 14.51689 16.98705 -Infinity 0.752514 -Infinity
16439
1025 pt -3.94520 15.24942 15.62961 Infinity 0.773619 Infinity
16440
1026 pt -3.85796 14.34022 18.57792 Infinity 0.705801 Infinity
16441
1027 pt -3.24105 20.38192 17.67302 -Infinity 0.631630 -Infinity
16442
1028 pt -3.66431 19.21288 16.24991 Infinity 0.679155 Infinity
16443
1029 pt -4.67239 21.58459 17.94859 Infinity 0.603142 Infinity
16444
1030 pt -5.50452 17.17532 13.19699 -Infinity 0.786218 -Infinity
16445
1031 pt -6.44575 15.59294 12.77130 Infinity 0.829610 Infinity
16446
1032 pt -6.37051 18.65682 12.40559 Infinity 0.759347 Infinity
16447
1033 pt -0.02940 6.98843 7.01504 -Infinity 1.806949 -Infinity
16448
1034 pt 1.14892 7.71725 8.30014 Infinity 1.535258 Infinity
16449
1035 pt -1.77529 6.90800 7.73368 Infinity 1.672656 Infinity
16450
1036 pt 6.77364 11.90334 13.32147 -Infinity 0.881335 -Infinity
16451
1037 pt 5.80173 11.93368 14.94182 Infinity 0.835853 Infinity
16452
1038 pt 7.65523 13.55779 13.08344 Infinity 0.835823 Infinity
16453
1039 pt 5.41853 14.45453 19.72900 -Infinity 0.660615 -Infinity
16454
1040 pt 4.29088 15.23998 18.43186 Infinity 0.688588 Infinity
16455
1041 pt 7.21714 14.89356 19.35044 Infinity 0.650429 Infinity
16456
1042 pt 2.49850 10.30865 20.89699 -Infinity 0.689873 -Infinity
16457
1043 pt 3.64088 11.79062 20.63277 Infinity 0.678216 Infinity
16458
1044 pt 1.29428 10.17383 19.44691 Infinity 0.739031 Infinity
16459
1045 pt 2.09371 16.12600 16.25693 -Infinity 0.741945 -Infinity
16460
1046 pt 2.10748 16.98537 14.57397 Infinity 0.769941 Infinity
16461
1047 pt 0.33338 15.57742 16.67087 Infinity 0.745855 Infinity
16462
1048 pt 14.28633 10.91695 9.52733 -Infinity 0.816617 -Infinity
16463
1049 pt 13.02180 9.86394 10.45642 Infinity 0.849693 Infinity
16464
1050 pt 16.02887 10.46101 10.09893 Infinity 0.758866 Infinity
16465
1051 pt 14.29889 13.47433 16.69262 -Infinity 0.636236 -Infinity
16466
1052 pt 15.92983 13.60115 17.63867 Infinity 0.596107 Infinity
16467
1053 pt 14.47159 14.33509 15.01920 Infinity 0.654065 Infinity
16468
1054 pt 17.03841 19.26056 9.68544 -Infinity 0.619082 -Infinity
16469
1055 pt 18.47325 20.07919 10.60312 Infinity 0.577603 Infinity
16470
1056 pt 15.79856 20.58105 9.14678 Infinity 0.623828 Infinity
16471
1057 pt 9.26621 16.36007 13.02087 -Infinity 0.748425 -Infinity
16472
1058 pt 11.08685 16.06847 12.60696 Infinity 0.732723 Infinity
16473
1059 pt 8.92705 18.21738 13.10116 Infinity 0.712911 Infinity
16474
1060 pt 10.65504 21.05001 19.19417 -Infinity 0.551955 -Infinity
16475
1061 pt 10.86232 21.99385 17.57020 Infinity 0.560292 Infinity
16476
1062 pt 8.92991 21.37181 19.89520 Infinity 0.550365 Infinity
16477
1063 pt 15.69520 8.39275 16.71258 -Infinity 0.652063 -Infinity
16478
1064 pt 17.58460 8.39920 16.74756 Infinity 0.618989 Infinity
16479
1065 pt 15.05866 10.17177 16.68110 Infinity 0.652724 Infinity
16480
1066 pt 19.27244 9.98683 10.68193 -Infinity 0.670430 -Infinity
16481
1067 pt 19.84426 11.65581 11.35911 Infinity 0.635955 Infinity
16482
1068 pt 20.29169 8.60385 11.46905 Infinity 0.645436 Infinity
16483
1069 pt 14.24259 15.54852 11.91663 -Infinity 0.695981 -Infinity
16484
1070 pt 14.42128 13.96237 10.90507 Infinity 0.735677 Infinity
16485
1071 pt 15.37541 16.88250 11.20370 Infinity 0.665108 Infinity
16486
1072 pt 18.29873 13.25479 20.01464 -Infinity 0.535761 -Infinity
16487
1073 pt 18.56623 15.10155 20.31293 Infinity 0.518104 Infinity
16488
1074 pt 19.95323 12.34986 20.13631 Infinity 0.520385 Infinity
16489
1075 pt 20.88558 8.61600 16.89172 -Infinity 0.563662 -Infinity
16490
1076 pt 21.94354 7.99195 15.45563 Infinity 0.566876 Infinity
16491
1077 pt 21.96532 9.60164 18.08911 Infinity 0.530836 Infinity
16492
1078 pt 10.59272 15.77113 19.59746 -Infinity 0.605107 -Infinity
16493
1079 pt 10.73962 17.64401 19.39297 Infinity 0.586956 Infinity
16494
1080 pt 11.68371 14.90919 18.31767 Infinity 0.626180 Infinity
16495
1081 pt 10.49782 8.34353 11.76116 -Infinity 0.911393 -Infinity
16496
1082 pt 11.20179 7.01541 12.90640 Infinity 0.862304 Infinity
16497
1083 pt 9.29399 9.43500 12.72581 Infinity 0.893580 Infinity
16503
1 a.u. = 0.171524 10**(-8) dyn/esu
16505
Atom X Y Z Electric field (a.u.)
16507
------------------------------------------------------------------------------------------------
16508
------------------------------------------------------------------------
16510
------------------------------------------------------------------------
16511
quantum energy -114.253232946 (-.299972E+06 kjoule/mol)
16512
quantum energy adjusted -114.253232946 (-.299972E+06 kjoule/mol)
16513
quantum energy internal -114.356403850 (-.300243E+06 kjoule/mol)
16514
Bq-nuclear energy 0.103170904 (0.270875E+03 kjoule/mol)
16515
Bq-electron energy 0.000000000 (0.000000E+00 kjoule/mol)
16516
classical energy -7.460520122 (-.195876E+05 kjoule/mol)
16517
total qmmm energy -121.713753068 (-.319559E+06 kjoule/mol)
16518
------------------------------------------------------------------------
16520
Total number of active Bq charges 1083
16521
frozen_density,esp T T
16522
disabling frozen_density,esp due to active qm atoms
16528
ao basis = "ao basis"
16535
input vectors = /home/d3p975/codes/nwchem-svn/nwchem/QA/tests/tce_qmmm_ccsd_opt/perm/fmd.movecs
16536
output vectors = /home/d3p975/codes/nwchem-svn/nwchem/QA/tests/tce_qmmm_ccsd_opt/perm/fmd.movecs
16541
Summary of "ao basis" -> "ao basis" (cartesian)
16542
------------------------------------------------------------------------------
16543
Tag Description Shells Functions and Types
16544
---------------- ------------------------------ ------ ---------------------
16545
O cc-pVDZ 6 15 3s2p1d
16546
C cc-pVDZ 6 15 3s2p1d
16551
Forming initial guess at 607.1s
16554
Loading old vectors from job with title :
16558
Nuclear repulsion energy = 31.052558332384677
16559
Bq nuclear interaction energy = 0.10318961420235116
16561
Starting SCF solution at 607.1s
16565
----------------------------------------------
16566
Quadratically convergent ROHF
16568
Convergence threshold : 1.000E-10
16569
Maximum no. of iterations : 200
16570
Final Fock-matrix accuracy: 0.000E+00
16571
----------------------------------------------
16574
#quartets = 1.471E+04 #integrals = 3.754E+05 #direct = 0.0% #cached =100.0%
16577
Integral file = /scratch/fmd.aoints.00
16578
Record size in doubles = 65536 No. of integs per rec = 43688
16579
Max. records in memory = 2 Max. records in file = 225827
16580
No. of bits per label = 8 No. of bits per value = 64
16583
File balance: exchanges= 0 moved= 0 time= 0.0
16585
Nuclear repulsion energy = 31.052558332384677
16586
Bq nuclear interaction energy = 0.10318961420235116
16588
iter energy gnorm gmax time
16589
----- ------------------- --------- --------- --------
16590
1 -113.9148300136 2.85E-04 7.84E-05 542.6
16591
Nuclear repulsion energy = 31.052558332384677
16592
Bq nuclear interaction energy = 0.10318961420235116
16593
2 -113.9148300198 3.31E-08 9.53E-09 542.9
16594
Nuclear repulsion energy = 31.052558332384677
16595
Bq nuclear interaction energy = 0.10318961420235116
16596
3 -113.9148300198 7.69E-12 2.72E-12 543.2
16597
Nuclear repulsion energy = 31.052558332384677
16598
Bq nuclear interaction energy = 0.10318961420235116
16604
Total SCF energy = -113.914830019799
16605
One-electron energy = -217.228936630899
16606
Two-electron energy = 72.158358664513
16607
Nuclear repulsion energy = 31.155747946587
16609
Time for solution = 0.7s
16635
ROHF Final Molecular Orbital Analysis
16636
-------------------------------------
16638
Vector 2 Occ=2.000000E+00 E=-1.134276E+01
16639
MO Center= 2.3E-01, 2.2E+00, -5.9E-01, r^2= 2.7E-02
16640
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
16641
----- ------------ --------------- ----- ------------ ---------------
16644
Vector 3 Occ=2.000000E+00 E=-1.396054E+00
16645
MO Center= -5.8E-01, 1.8E+00, -5.6E-01, r^2= 5.0E-01
16646
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
16647
----- ------------ --------------- ----- ------------ ---------------
16648
2 0.409254 1 O s 3 0.388450 1 O s
16649
17 0.207480 2 C s 19 -0.163942 2 C px
16651
Vector 4 Occ=2.000000E+00 E=-8.541543E-01
16652
MO Center= 1.8E-01, 2.1E+00, -5.8E-01, r^2= 1.4E+00
16653
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
16654
----- ------------ --------------- ----- ------------ ---------------
16655
17 0.355297 2 C s 3 -0.260874 1 O s
16656
18 0.234649 2 C s 31 0.228085 3 H s
16657
36 0.225603 4 H s 2 -0.192107 1 O s
16660
Vector 5 Occ=2.000000E+00 E=-6.769101E-01
16661
MO Center= -2.1E-02, 2.0E+00, -5.8E-01, r^2= 1.3E+00
16662
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
16663
----- ------------ --------------- ----- ------------ ---------------
16664
21 0.368723 2 C pz 6 0.334214 1 O pz
16665
36 -0.235852 4 H s 31 0.232826 3 H s
16668
Vector 6 Occ=2.000000E+00 E=-6.504931E-01
16669
MO Center= -5.0E-01, 1.8E+00, -5.5E-01, r^2= 1.3E+00
16670
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
16671
----- ------------ --------------- ----- ------------ ---------------
16672
4 0.436856 1 O px 19 -0.350988 2 C px
16673
7 0.289974 1 O px 3 -0.254950 1 O s
16674
5 0.203648 1 O py 20 -0.170660 2 C py
16676
Vector 7 Occ=2.000000E+00 E=-5.268331E-01
16677
MO Center= -5.5E-01, 1.8E+00, -5.6E-01, r^2= 9.2E-01
16678
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
16679
----- ------------ --------------- ----- ------------ ---------------
16680
5 0.431569 1 O py 8 0.313129 1 O py
16681
20 0.262865 2 C py 4 -0.192848 1 O px
16682
6 0.182574 1 O pz 23 0.150566 2 C py
16684
Vector 8 Occ=2.000000E+00 E=-4.362685E-01
16685
MO Center= -2.6E-01, 1.9E+00, -5.7E-01, r^2= 1.6E+00
16686
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
16687
----- ------------ --------------- ----- ------------ ---------------
16688
6 0.486079 1 O pz 9 0.408228 1 O pz
16689
31 -0.255665 3 H s 36 0.254893 4 H s
16690
21 -0.216600 2 C pz 5 -0.164112 1 O py
16692
Vector 9 Occ=0.000000E+00 E= 1.469073E-01
16693
MO Center= 4.2E-02, 2.1E+00, -5.8E-01, r^2= 1.7E+00
16694
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
16695
----- ------------ --------------- ----- ------------ ---------------
16696
23 0.584711 2 C py 8 -0.417570 1 O py
16697
20 0.370587 2 C py 5 -0.300437 1 O py
16698
22 -0.275770 2 C px 24 0.250293 2 C pz
16699
7 0.195771 1 O px 9 -0.175844 1 O pz
16700
19 -0.173608 2 C px 21 0.157082 2 C pz
16702
Vector 10 Occ=0.000000E+00 E= 2.233910E-01
16703
MO Center= 9.4E-01, 2.4E+00, -4.5E-01, r^2= 4.0E+00
16704
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
16705
----- ------------ --------------- ----- ------------ ---------------
16706
18 1.912942 2 C s 32 -1.500544 3 H s
16707
37 -1.238354 4 H s 22 0.605955 2 C px
16708
23 0.257296 2 C py 19 0.166129 2 C px
16710
Vector 11 Occ=0.000000E+00 E= 2.911960E-01
16711
MO Center= 9.8E-01, 2.6E+00, -7.9E-01, r^2= 4.1E+00
16712
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
16713
----- ------------ --------------- ----- ------------ ---------------
16714
37 1.930214 4 H s 32 -1.747735 3 H s
16715
24 1.292556 2 C pz 23 -0.448537 2 C py
16716
21 0.340894 2 C pz 9 -0.273329 1 O pz
16719
Vector 12 Occ=0.000000E+00 E= 3.719020E-01
16720
MO Center= 1.1E-01, 2.1E+00, -5.9E-01, r^2= 3.0E+00
16721
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
16722
----- ------------ --------------- ----- ------------ ---------------
16723
3 1.814192 1 O s 22 1.556785 2 C px
16724
18 -1.383847 2 C s 23 0.739699 2 C py
16725
7 0.622449 1 O px 8 0.297623 1 O py
16727
Vector 13 Occ=0.000000E+00 E= 6.835984E-01
16728
MO Center= 6.7E-01, 2.5E+00, -5.6E-01, r^2= 1.7E+00
16729
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
16730
----- ------------ --------------- ----- ------------ ---------------
16731
18 1.046446 2 C s 31 -0.765611 3 H s
16732
36 -0.747689 4 H s 30 -0.296982 2 C dzz
16733
22 0.291216 2 C px 29 0.282294 2 C dyz
16734
23 0.278067 2 C py 17 -0.213823 2 C s
16735
32 0.199410 3 H s 16 -0.195742 2 C s
16737
Vector 14 Occ=0.000000E+00 E= 6.960106E-01
16738
MO Center= 3.0E-01, 2.1E+00, -6.3E-01, r^2= 1.9E+00
16739
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
16740
----- ------------ --------------- ----- ------------ ---------------
16741
23 0.893135 2 C py 20 -0.866217 2 C py
16742
22 -0.458162 2 C px 19 0.400901 2 C px
16743
21 -0.360795 2 C pz 24 0.357425 2 C pz
16745
Vector 15 Occ=0.000000E+00 E= 7.561342E-01
16746
MO Center= 5.1E-02, 2.1E+00, -5.9E-01, r^2= 2.3E+00
16747
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
16748
----- ------------ --------------- ----- ------------ ---------------
16749
24 1.927703 2 C pz 36 0.705065 4 H s
16750
31 -0.692130 3 H s 23 -0.619079 2 C py
16751
32 -0.618789 3 H s 37 0.618268 4 H s
16752
22 0.373313 2 C px 9 -0.325002 1 O pz
16753
6 -0.297110 1 O pz 21 -0.277404 2 C pz
16755
Vector 16 Occ=0.000000E+00 E= 8.352257E-01
16756
MO Center= 5.5E-01, 2.3E+00, -5.8E-01, r^2= 2.5E+00
16757
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
16758
----- ------------ --------------- ----- ------------ ---------------
16759
24 1.508630 2 C pz 32 -1.502145 3 H s
16760
37 1.451690 4 H s 21 -0.764296 2 C pz
16761
27 0.523962 2 C dxz 23 -0.480760 2 C py
16762
36 -0.364222 4 H s 31 0.351107 3 H s
16763
22 0.326784 2 C px 29 0.265174 2 C dyz
16765
Vector 17 Occ=0.000000E+00 E= 8.940267E-01
16766
MO Center= -2.4E-02, 2.0E+00, -5.8E-01, r^2= 1.5E+00
16767
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
16768
----- ------------ --------------- ----- ------------ ---------------
16769
22 0.952444 2 C px 18 0.907448 2 C s
16770
19 -0.904169 2 C px 37 -0.531003 4 H s
16771
23 0.477269 2 C py 32 -0.466151 3 H s
16772
20 -0.444948 2 C py 7 -0.420911 1 O px
16773
26 -0.307869 2 C dxy 4 -0.267345 1 O px
16775
Vector 18 Occ=0.000000E+00 E= 9.596000E-01
16776
MO Center= 5.7E-01, 2.3E+00, -6.3E-01, r^2= 2.7E+00
16777
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
16778
----- ------------ --------------- ----- ------------ ---------------
16779
18 4.073038 2 C s 17 -1.676850 2 C s
16780
37 -1.316617 4 H s 32 -1.255469 3 H s
16781
16 -0.786831 2 C s 22 0.480297 2 C px
16782
3 -0.456169 1 O s 28 -0.288298 2 C dyy
16783
30 -0.241412 2 C dzz 23 0.237459 2 C py
16788
x = -0.59854800 y = 3.58522831 z = -1.07151153
16790
moments of inertia (a.u.)
16792
15.133877232748 -18.078385252243 0.486537584743
16793
-18.078385252243 44.132973697969 2.588861549910
16794
0.486537584743 2.588861549910 47.959229820328
16796
Mulliken analysis of the total density
16797
--------------------------------------
16799
Atom Charge Shell Charges
16800
----------- ------ -------------------------------------------------------
16801
1 O 8 8.47 2.00 0.83 0.92 2.79 1.90 0.02
16802
2 C 6 5.69 2.00 0.70 0.44 1.82 0.59 0.12
16803
3 H 1 0.93 0.75 0.15 0.03
16804
4 H 1 0.92 0.75 0.13 0.03
16806
Multipole analysis of the density wrt the origin
16807
------------------------------------------------
16809
L x y z total open nuclear
16810
- - - - ----- ---- -------
16811
0 0 0 0 0.000000 0.000000 16.000000
16813
1 1 0 0 1.400194 0.000000 -7.569948
16814
1 0 1 0 0.652314 0.000000 58.333168
16815
1 0 0 1 -0.074824 0.000000 -17.226731
16817
2 2 0 0 -10.035977 0.000000 26.750718
16818
2 1 1 0 4.671285 0.000000 -16.891781
16819
2 1 0 1 -1.468103 0.000000 8.297124
16820
2 0 2 0 -3.685845 0.000000 218.595530
16821
2 0 1 1 -1.063436 0.000000 -65.071114
16822
2 0 0 2 -8.051701 0.000000 24.131027
16824
Nuclear repulsion energy = 31.052558332384677
16825
Bq nuclear interaction energy = 0.10318961420235116
16827
Parallel integral file used 27 records with 0 large values
16829
NWChem Extensible Many-Electron Theory Module
16830
---------------------------------------------
16832
======================================================
16833
This portion of the program was automatically
16834
generated by a Tensor Contraction Engine (TCE).
16835
The development of this portion of the program
16836
and TCE was supported by US Department of Energy,
16837
Office of Science, Office of Basic Energy Science.
16838
TCE is a product of Battelle and PNNL.
16839
Please cite: S.Hirata, J.Phys.Chem.A 107, 9887 (2003).
16840
======================================================
16842
General Information
16843
-------------------
16844
Number of processors : 27
16845
Wavefunction type : Restricted Hartree-Fock
16846
No. of electrons : 16
16847
Alpha electrons : 8
16849
No. of orbitals : 80
16850
Alpha orbitals : 40
16852
Alpha frozen cores : 0
16853
Beta frozen cores : 0
16854
Alpha frozen virtuals : 0
16855
Beta frozen virtuals : 0
16856
Spin multiplicity : singlet
16857
Number of AO functions : 40
16858
Number of AO shells : 18
16859
Use of symmetry is : off
16860
Symmetry adaption is : off
16861
Schwarz screening : 0.00E+00
16863
Correlation Information
16864
-----------------------
16865
Calculation type : Coupled-cluster singles & doubles
16866
Perturbative correction : none
16867
Max iterations : 200
16868
Residual threshold : 0.10E-05
16869
T(0) DIIS level shift : 0.00E+00
16870
L(0) DIIS level shift : 0.00E+00
16871
T(1) DIIS level shift : 0.00E+00
16872
L(1) DIIS level shift : 0.00E+00
16873
T(R) DIIS level shift : 0.00E+00
16874
T(I) DIIS level shift : 0.00E+00
16875
CC-T/L Amplitude update : 5-th order DIIS
16876
I/O scheme : Global Array Library
16880
Available GA space size is 2654059007 doubles
16881
Available MA space size is 49130121 doubles
16883
Maximum block size supplied by input
16884
Maximum block size 12 doubles
16888
Block Spin Irrep Size Offset Alpha
16889
-------------------------------------------------
16890
1 alpha a 8 doubles 0 1
16891
2 beta a 8 doubles 8 1
16892
3 alpha a 10 doubles 16 3
16893
4 alpha a 11 doubles 26 4
16894
5 alpha a 11 doubles 37 5
16895
6 beta a 10 doubles 48 3
16896
7 beta a 11 doubles 58 4
16897
8 beta a 11 doubles 69 5
16899
Global array virtual files algorithm will be used
16901
Parallel file system coherency ......... OK
16903
#quartets = 1.471E+04 #integrals = 3.754E+05 #direct = 0.0% #cached =100.0%
16906
Integral file = /scratch/fmd.aoints.00
16907
Record size in doubles = 65536 No. of integs per rec = 43688
16908
Max. records in memory = 2 Max. records in file = 225827
16909
No. of bits per label = 8 No. of bits per value = 64
16912
File balance: exchanges= 0 moved= 0 time= 0.0
16915
Fock matrix recomputed
16916
1-e file size = 1600
16917
1-e file name = /scratch/fmd.f1
16918
1-e file handle = -993
16919
Cpu & wall time / sec 0.1 0.2
16921
2-e (intermediate) file size = 5769600
16922
2-e (intermediate) file name = /scratch/fmd.v2i
16923
Cpu & wall time / sec 0.1 0.1
16925
2-e file size = 3566009
16926
2-e file name = /scratch/fmd.v2
16927
2-e file handle = -991
16928
Cpu & wall time / sec 0.1 0.1
16931
t1 file name = /scratch/fmd.t1
16932
t1 file handle = -992
16933
Cpu & wall time / sec 0.0
16934
before tce_guess_t2
16937
t2 file size = 109248
16938
t2 file name = /scratch/fmd.t2
16939
t2 file handle = -989
16940
Cpu & wall time / sec 0.0
16943
-----------------------------------------------------------------
16944
Iter Residuum Correlation Cpu Wall V2*C2
16945
-----------------------------------------------------------------
16946
1 0.1517183070051 -0.3227419620633 0.2 0.2 0.0
16947
2 0.0552900879781 -0.3256145264357 0.2 0.2 0.0
16948
3 0.0173712868161 -0.3360793690122 0.2 0.2 0.0
16949
4 0.0105469759266 -0.3366145627597 0.2 0.2 0.0
16950
5 0.0044749021560 -0.3378488855238 0.2 0.2 0.0
16951
MICROCYCLE DIIS UPDATE: 5 5
16952
6 0.0016781822837 -0.3382752623619 0.2 0.2 0.0
16953
7 0.0007065190999 -0.3383850414413 0.2 0.2 0.0
16954
8 0.0003967923267 -0.3383887830545 0.2 0.2 0.0
16955
9 0.0002213116391 -0.3383931608562 0.2 0.2 0.0
16956
10 0.0001325709858 -0.3383982960647 0.2 0.2 0.0
16957
MICROCYCLE DIIS UPDATE: 10 5
16958
11 0.0000239423359 -0.3384049141120 0.2 0.2 0.0
16959
12 0.0000133979524 -0.3384054701592 0.2 0.2 0.0
16960
13 0.0000091589503 -0.3384064840295 0.2 0.2 0.0
16961
14 0.0000069448858 -0.3384065370671 0.2 0.2 0.0
16962
15 0.0000053393112 -0.3384066588079 0.2 0.2 0.0
16963
MICROCYCLE DIIS UPDATE: 15 5
16964
16 0.0000011671791 -0.3384066503494 0.2 0.2 0.0
16965
17 0.0000005979178 -0.3384067410497 0.2 0.2 0.0
16966
-----------------------------------------------------------------
16967
Iterations converged
16968
CCSD correlation energy / hartree = -0.338406741049667
16969
CCSD total energy / hartree = -114.253236760848864
16971
Singles contributions
16973
Doubles contributions
16974
9a (alpha) 9a (beta ) --- 7a (alpha) 7a (beta ) -0.1173169388
16976
CCSD Lambda iterations
16977
--------------------------------------
16978
Iter Residuum Cpu Wall
16979
--------------------------------------
16980
1 1.6754429306623 0.5 0.6
16981
2 0.0293275206894 0.5 0.6
16982
3 0.0031821257855 0.4 0.6
16983
4 0.0003677097263 0.5 0.6
16984
5 0.0001068855325 0.5 0.6
16985
MICROCYCLE DIIS UPDATE: 5 5
16986
6 0.0000239591797 0.5 0.6
16987
7 0.0000046290335 0.5 0.6
16988
8 0.0000014875356 0.5 0.6
16989
9 0.0000004825334 0.5 0.6
16990
--------------------------------------
16991
Iterations converged
16993
MO Z-VEC iterations
16994
--------------------------------------
16995
Iter Residuum Cpu Wall
16996
--------------------------------------
16997
1 0.0234858786174 0.0 0.0
16998
2 0.0076566803238 0.0 0.0
16999
3 0.0030598912632 0.0 0.0
17000
4 0.0027671098218 0.0 0.0
17001
5 0.0017236359859 0.0 0.0
17002
MICROCYCLE DIIS UPDATE: 5 5
17003
6 0.0003198586715 0.0 0.0
17004
7 0.0001725530597 0.0 0.0
17005
8 0.0000812404343 0.0 0.0
17006
9 0.0000691193095 0.0 0.0
17007
10 0.0000366191129 0.0 0.0
17008
MICROCYCLE DIIS UPDATE: 10 5
17009
11 0.0000046486159 0.0 0.0
17010
12 0.0000023135318 0.0 0.0
17011
13 0.0000011601255 0.0 0.0
17012
14 0.0000009768715 0.0 0.0
17013
--------------------------------------
17014
Iterations converged
17016
NWChem Gradients Module
17017
-----------------------
17021
wavefunction = TCE RHF CCSD
17025
ccsd ENERGY GRADIENTS
17027
atom coordinates gradient
17029
1 O -1.631926 3.087278 -1.028264 0.013526 0.002100 0.002550
17030
2 C 0.438660 4.084601 -1.115163 -0.000853 -0.000204 0.000158
17031
3 H 1.758025 4.021764 0.510061 -0.000132 0.000054 0.000004
17032
4 H 1.095475 5.105569 -2.819702 -0.000850 0.000409 0.000343
17034
----------------------------------------
17035
| Time | 1-e(secs) | 2-e(secs) |
17036
----------------------------------------
17037
| CPU | 0.07 | 0.13 |
17038
----------------------------------------
17039
| WALL | 0.14 | 0.14 |
17040
----------------------------------------
17042
Parallel integral file used 27 records with 0 large values
17044
Bq nuclear interaction energy = 0.10318961420235116
17045
Calculating forces on classical charges
17046
---------------------------------------
17047
Total number of charges 1083
17048
NWChem Property Module
17049
----------------------
17053
---------------------------------------------
17054
Electrostatic potential/diamagnetic shielding
17055
---------------------------------------------
17057
1 a.u. = 9.07618 esu/cm ( or statvolts )
17058
Point X Y Z Total Potential(a.u.) Diamagnetic shielding(a.u.) External Bq potential
17059
1 pt -10.84723 -20.95205 -11.78144 -Infinity 0.557456 -Infinity
17060
2 pt -9.86955 -19.74674 -10.70327 Infinity 0.594241 Infinity
17061
3 pt -12.23975 -21.72294 -10.76278 Infinity 0.541874 Infinity
17062
4 pt -13.12430 -10.66219 -18.89844 -Infinity 0.613890 -Infinity
17063
5 pt -13.17479 -12.55121 -18.91046 Infinity 0.588769 Infinity
17064
6 pt -11.56402 -10.06708 -19.78300 Infinity 0.623514 Infinity
17065
7 pt -16.79698 -8.14739 -16.53412 -Infinity 0.632355 -Infinity
17066
8 pt -17.27883 -9.23444 -15.06538 Infinity 0.632787 Infinity
17067
9 pt -15.30716 -8.90378 -17.41696 Infinity 0.632084 Infinity
17068
10 pt -17.30897 -10.90329 -12.00970 -Infinity 0.648113 -Infinity
17069
11 pt -18.50874 -9.94796 -10.90563 Infinity 0.652623 Infinity
17070
12 pt -16.21978 -12.01826 -10.94126 Infinity 0.661207 Infinity
17071
13 pt -12.84229 -7.70712 -11.71752 -Infinity 0.808890 -Infinity
17072
14 pt -11.59319 -8.74066 -10.74664 Infinity 0.835259 Infinity
17073
15 pt -14.34453 -8.77081 -12.14520 Infinity 0.742130 Infinity
17074
16 pt -16.85205 -17.68010 -11.06739 -Infinity 0.559568 -Infinity
17075
17 pt -15.76931 -16.30360 -10.35749 Infinity 0.599189 Infinity
17076
18 pt -18.60008 -17.53383 -10.36448 Infinity 0.546359 Infinity
17077
19 pt -7.79410 -18.14783 -8.64777 -Infinity 0.662511 -Infinity
17078
20 pt -7.25183 -19.87406 -8.10265 Infinity 0.629523 Infinity
17079
21 pt -7.82012 -16.99301 -7.15218 Infinity 0.705650 Infinity
17080
22 pt -14.30789 -19.61047 -15.39045 -Infinity 0.523832 -Infinity
17081
23 pt -12.76606 -20.03958 -14.38561 Infinity 0.537711 Infinity
17082
24 pt -15.61427 -18.85789 -14.25112 Infinity 0.531981 Infinity
17083
25 pt -9.64832 -10.74055 -8.91995 -Infinity 0.855946 -Infinity
17084
26 pt -9.72122 -10.58855 -7.03775 Infinity 0.894234 Infinity
17085
27 pt -7.84570 -10.70875 -9.48617 Infinity 0.882573 Infinity
17086
28 pt -14.24333 -13.62735 -8.86931 -Infinity 0.686035 -Infinity
17087
29 pt -14.63664 -13.92469 -7.04504 Infinity 0.688614 Infinity
17088
30 pt -12.50957 -12.89284 -9.02938 Infinity 0.732256 Infinity
17089
31 pt 4.17236 -20.91808 -8.89512 -Infinity 0.610425 -Infinity
17090
32 pt 5.42299 -22.28335 -8.51689 Infinity 0.579034 Infinity
17091
33 pt 3.29184 -21.30219 -10.52246 Infinity 0.593602 Infinity
17092
34 pt 4.77666 -17.49379 -15.08387 -Infinity 0.617175 -Infinity
17093
35 pt 6.09923 -17.11459 -13.78845 Infinity 0.633685 Infinity
17094
36 pt 4.17904 -19.27408 -14.87300 Infinity 0.588781 Infinity
17095
37 pt -4.46367 -10.02339 -10.08089 -Infinity 0.951349 -Infinity
17096
38 pt -3.35374 -11.34455 -10.85140 Infinity 0.883454 Infinity
17097
39 pt -3.47826 -9.03696 -8.80535 Infinity 1.057389 Infinity
17098
40 pt -1.01915 -20.36333 -12.13301 -Infinity 0.605328 -Infinity
17099
41 pt -1.27340 -21.50243 -13.61924 Infinity 0.569273 Infinity
17100
42 pt -1.11262 -21.37482 -10.53952 Infinity 0.598158 Infinity
17101
43 pt -0.08715 -17.77606 -20.87778 -Infinity 0.548328 -Infinity
17102
44 pt -0.21104 -18.93210 -19.38805 Infinity 0.550313 Infinity
17103
45 pt 0.74838 -18.68106 -22.31094 Infinity 0.518741 Infinity
17104
46 pt 4.93314 -8.49329 -13.92388 -Infinity 0.863023 -Infinity
17105
47 pt 3.82290 -9.85485 -14.62000 Infinity 0.814447 Infinity
17106
48 pt 4.25571 -6.80447 -14.43384 Infinity 0.905826 Infinity
17107
49 pt 7.03822 -16.37428 -19.51719 -Infinity 0.565967 -Infinity
17108
50 pt 6.72082 -17.79075 -20.72712 Infinity 0.533573 Infinity
17109
51 pt 6.03644 -16.65550 -17.93972 Infinity 0.587924 Infinity
17110
52 pt -4.71593 -16.93542 -12.62987 -Infinity 0.667935 -Infinity
17111
53 pt -3.37894 -18.26962 -12.57116 Infinity 0.642597 Infinity
17112
54 pt -5.96767 -17.23525 -11.24629 Infinity 0.671435 Infinity
17113
55 pt -4.53578 -11.35453 -20.77149 -Infinity 0.637967 -Infinity
17114
56 pt -4.98153 -12.25793 -19.17266 Infinity 0.653172 Infinity
17115
57 pt -3.82525 -12.58688 -22.01547 Infinity 0.599242 Infinity
17116
58 pt -0.95776 -13.55464 -11.75498 -Infinity 0.789887 -Infinity
17117
59 pt 0.47151 -14.29958 -10.76843 Infinity 0.783134 Infinity
17118
60 pt -2.27348 -14.87725 -12.05610 Infinity 0.740739 Infinity
17119
61 pt 2.07893 -12.46034 -15.73872 -Infinity 0.728698 -Infinity
17120
62 pt 2.94442 -14.11607 -16.02249 Infinity 0.681107 Infinity
17121
63 pt 0.77919 -12.65242 -14.38047 Infinity 0.758435 Infinity
17122
64 pt -6.00154 -13.76487 -16.51291 -Infinity 0.669739 -Infinity
17123
65 pt -7.05932 -12.50394 -15.58434 Infinity 0.706366 Infinity
17124
66 pt -5.38350 -15.08092 -15.30580 Infinity 0.666626 Infinity
17125
67 pt 7.22251 -11.46512 -21.36664 -Infinity 0.604133 -Infinity
17126
68 pt 7.28986 -13.27497 -20.82723 Infinity 0.588659 Infinity
17127
69 pt 5.42113 -10.94074 -21.59271 Infinity 0.617986 Infinity
17128
70 pt 3.25647 -15.52294 -9.20442 -Infinity 0.755412 -Infinity
17129
71 pt 3.17873 -17.38271 -8.87843 Infinity 0.703402 Infinity
17130
72 pt 4.99113 -15.05733 -9.79199 Infinity 0.748214 Infinity
17131
73 pt 0.15300 -9.35987 -19.53027 -Infinity 0.707781 -Infinity
17132
74 pt -1.61597 -9.88573 -19.93682 Infinity 0.688156 Infinity
17133
75 pt 0.85424 -10.48958 -18.18749 Infinity 0.718856 Infinity
17134
76 pt -0.87107 -7.57185 -7.14328 -Infinity 1.252143 -Infinity
17135
77 pt 0.40400 -6.36167 -7.83664 Infinity 1.316193 Infinity
17136
78 pt 0.00403 -9.13609 -6.54459 Infinity 1.148174 Infinity
17137
79 pt 8.90603 -16.16124 -12.07932 -Infinity 0.651225 -Infinity
17138
80 pt 10.06345 -16.80113 -13.42913 Infinity 0.611731 Infinity
17139
81 pt 9.41688 -16.89020 -10.41238 Infinity 0.648346 Infinity
17140
82 pt 15.56931 -12.16173 -16.15774 -Infinity 0.589069 -Infinity
17141
83 pt 13.87597 -11.50904 -15.63078 Infinity 0.627411 Infinity
17142
84 pt 15.38861 -13.18072 -17.73890 Infinity 0.560309 Infinity
17143
85 pt 10.46904 -9.04921 -18.18005 -Infinity 0.666630 -Infinity
17144
86 pt 10.20630 -9.86870 -16.49765 Infinity 0.690363 Infinity
17145
87 pt 9.37500 -9.89185 -19.47005 Infinity 0.642014 Infinity
17146
88 pt 11.63256 -16.92690 -16.83805 -Infinity 0.558469 -Infinity
17147
89 pt 12.95383 -16.38644 -18.07628 Infinity 0.541414 Infinity
17148
90 pt 9.94403 -16.94836 -17.68627 Infinity 0.561875 Infinity
17149
91 pt 9.45733 -11.17968 -13.70330 -Infinity 0.729975 -Infinity
17150
92 pt 7.78452 -10.30612 -13.60496 Infinity 0.778662 Infinity
17151
93 pt 9.29333 -12.93519 -13.02334 Infinity 0.704668 Infinity
17152
94 pt 14.57351 -7.01191 -9.89823 -Infinity 0.780252 -Infinity
17153
95 pt 13.92514 -8.75872 -9.58309 Infinity 0.765958 Infinity
17154
96 pt 13.16651 -5.92158 -10.53275 Infinity 0.832268 Infinity
17155
97 pt 14.52073 -14.46193 -8.29747 -Infinity 0.649005 -Infinity
17156
98 pt 14.24147 -13.15413 -6.96228 Infinity 0.690909 Infinity
17157
99 pt 13.17916 -15.78700 -8.17317 Infinity 0.644046 Infinity
17158
100 pt 15.52348 -19.18551 -13.76149 -Infinity 0.521579 -Infinity
17159
101 pt 16.42369 -17.59041 -13.29636 Infinity 0.536656 Infinity
17160
102 pt 14.11816 -18.79000 -14.96138 Infinity 0.529848 Infinity
17161
103 pt 17.80980 -14.69130 -12.22451 -Infinity 0.566394 -Infinity
17162
104 pt 16.67760 -14.52180 -10.72103 Infinity 0.596146 Infinity
17163
105 pt 17.13731 -13.63882 -13.64264 Infinity 0.576614 Infinity
17164
106 pt -17.30093 3.37275 -20.58380 -Infinity 0.622223 -Infinity
17165
107 pt -16.62420 2.25018 -19.22257 Infinity 0.659048 Infinity
17166
108 pt -16.62173 2.81554 -22.25690 Infinity 0.601422 Infinity
17167
109 pt -7.95546 -4.07306 -19.46212 -Infinity 0.752038 -Infinity
17168
110 pt -6.18604 -3.60034 -18.99653 Infinity 0.794201 Infinity
17169
111 pt -9.00309 -4.21655 -17.89594 Infinity 0.784425 Infinity
17170
112 pt -10.24997 -4.43797 -14.87327 -Infinity 0.856414 -Infinity
17171
113 pt -11.59767 -5.53853 -14.13600 Infinity 0.825414 Infinity
17172
114 pt -8.61824 -4.74922 -13.97235 Infinity 0.921788 Infinity
17173
115 pt -12.87222 5.50573 -13.37261 -Infinity 0.913730 -Infinity
17174
116 pt -11.97015 3.85527 -13.55515 Infinity 0.945899 Infinity
17175
117 pt -14.43304 5.26041 -12.33593 Infinity 0.891819 Infinity
17176
118 pt -13.27301 -3.61429 -8.55494 -Infinity 0.977209 -Infinity
17177
119 pt -13.17242 -4.99406 -9.84226 Infinity 0.910838 Infinity
17178
120 pt -11.68927 -2.58475 -8.60847 Infinity 1.084890 Infinity
17179
121 pt -15.46702 0.10534 -17.21925 -Infinity 0.719146 -Infinity
17180
122 pt -14.68220 -0.01149 -15.50418 Infinity 0.780306 Infinity
17181
123 pt -16.81976 -1.20379 -17.38461 Infinity 0.680248 Infinity
17182
124 pt -8.46727 -1.50306 -9.49301 -Infinity 1.269387 -Infinity
17183
125 pt -7.00354 -0.32039 -9.32024 Infinity 1.432907 Infinity
17184
126 pt -7.86071 -3.16485 -10.15752 Infinity 1.188282 Infinity
17185
127 pt -10.80320 2.83236 -18.58698 -Infinity 0.787420 -Infinity
17186
128 pt -12.46320 1.98570 -18.90102 Infinity 0.743920 Infinity
17187
129 pt -10.22103 2.44779 -16.83077 Infinity 0.863282 Infinity
17188
130 pt -18.93772 -4.42331 -13.32449 -Infinity 0.681574 -Infinity
17189
131 pt -20.71119 -4.99159 -13.00365 Infinity 0.642083 Infinity
17190
132 pt -18.12737 -5.56876 -14.59032 Infinity 0.667538 Infinity
17191
133 pt -21.03745 2.75887 -16.81039 -Infinity 0.619392 -Infinity
17192
134 pt -20.11614 3.10194 -18.42425 Infinity 0.611961 Infinity
17193
135 pt -21.15693 0.89292 -16.53647 Infinity 0.618091 Infinity
17194
136 pt -19.60624 -0.61453 -9.83695 -Infinity 0.749429 -Infinity
17195
137 pt -21.45549 -0.39894 -10.16079 Infinity 0.692574 Infinity
17196
138 pt -18.91460 -1.94316 -10.98910 Infinity 0.742357 Infinity
17197
139 pt -19.79800 -2.65696 -19.03412 -Infinity 0.591587 -Infinity
17198
140 pt -18.76455 -3.87748 -20.04078 Infinity 0.585453 Infinity
17199
141 pt -21.29636 -3.54918 -18.30616 Infinity 0.573808 Infinity
17200
142 pt -17.01946 3.90993 -10.52095 -Infinity 0.843933 -Infinity
17201
143 pt -18.20278 5.00402 -11.50775 Infinity 0.779330 Infinity
17202
144 pt -17.85587 2.25864 -10.14053 Infinity 0.818614 Infinity
17203
145 pt -10.73109 0.64358 -13.77880 -Infinity 0.967274 -Infinity
17204
146 pt -10.66490 -1.09405 -14.51861 Infinity 0.916229 Infinity
17205
147 pt -10.09642 0.59636 -11.99947 Infinity 1.080861 Infinity
17206
148 pt -19.96419 6.69708 -13.78257 -Infinity 0.683876 -Infinity
17207
149 pt -21.04508 8.20050 -14.15999 Infinity 0.646788 Infinity
17208
150 pt -20.57726 5.21309 -14.77906 Infinity 0.658281 Infinity
17209
151 pt 4.27648 3.52693 -17.96847 -Infinity 0.909317 -Infinity
17210
152 pt 4.91579 3.51723 -19.74674 Infinity 0.821401 Infinity
17211
153 pt 3.52393 5.21573 -17.57773 Infinity 0.935861 Infinity
17212
154 pt -6.17639 -5.55570 -12.02476 -Infinity 1.041908 -Infinity
17213
155 pt -5.82559 -7.30894 -11.41308 Infinity 1.003500 Infinity
17214
156 pt -4.59383 -4.52703 -11.93318 Infinity 1.128194 Infinity
17215
157 pt -4.11778 1.33637 -9.68471 -Infinity 1.661478 -Infinity
17216
158 pt -3.55475 2.67921 -10.88922 Infinity 1.545011 Infinity
17217
159 pt -4.23005 2.05866 -7.94208 Infinity 2.007039 Infinity
17218
160 pt 3.59837 0.72647 -11.24336 -Infinity 1.402076 -Infinity
17219
161 pt 5.14808 1.53402 -11.96263 Infinity 1.280158 Infinity
17220
162 pt 2.27550 2.04491 -10.95562 Infinity 1.530624 Infinity
17221
163 pt -2.21718 4.79677 -13.03886 -Infinity 1.313000 -Infinity
17222
164 pt -3.42343 6.18759 -13.46507 Infinity 1.228803 Infinity
17223
165 pt -0.66165 5.52897 -12.25447 Infinity 1.404794 Infinity
17224
166 pt 3.82600 -3.32823 -15.07553 -Infinity 0.982777 -Infinity
17225
167 pt 2.42128 -2.87034 -16.25373 Infinity 0.951250 Infinity
17226
168 pt 3.92600 -2.05099 -13.68639 Infinity 1.096845 Infinity
17227
169 pt -0.09186 1.19597 -16.39151 -Infinity 1.028465 -Infinity
17228
170 pt 1.54227 1.93467 -16.98733 Infinity 0.989079 Infinity
17229
171 pt -0.97579 2.43802 -15.27480 Infinity 1.118856 Infinity
17230
172 pt -1.95645 -2.89933 -11.69133 -Infinity 1.271387 -Infinity
17231
173 pt -0.31648 -3.32067 -10.85224 Infinity 1.327292 Infinity
17232
174 pt -2.61636 -1.26774 -11.00322 Infinity 1.415434 Infinity
17233
175 pt 2.61901 -3.73649 -8.93676 -Infinity 1.415063 -Infinity
17234
176 pt 3.02703 -2.04168 -9.66628 Infinity 1.458081 Infinity
17235
177 pt 4.17402 -4.81023 -8.92717 Infinity 1.277119 Infinity
17236
178 pt -3.13454 -2.75175 -17.46253 -Infinity 0.898661 -Infinity
17237
179 pt -2.18429 -1.14366 -17.17597 Infinity 0.946298 Infinity
17238
180 pt -3.14016 -3.77319 -15.87266 Infinity 0.953738 Infinity
17239
181 pt -2.37331 5.77742 -19.79274 -Infinity 0.843805 -Infinity
17240
182 pt -0.86921 6.26141 -18.75615 Infinity 0.893238 Infinity
17241
183 pt -3.65335 7.16636 -19.73412 Infinity 0.830025 Infinity
17242
184 pt 17.61826 2.77546 -20.84224 -Infinity 0.595775 -Infinity
17243
185 pt 17.37528 1.75654 -19.26940 Infinity 0.624915 Infinity
17244
186 pt 18.63192 1.78021 -22.08845 Infinity 0.561248 Infinity
17245
187 pt 8.87647 -4.30943 -16.48300 -Infinity 0.809706 -Infinity
17246
188 pt 9.17521 -6.03990 -17.18106 Infinity 0.755295 Infinity
17247
189 pt 7.02399 -4.04755 -16.21692 Infinity 0.859050 Infinity
17248
190 pt 18.69807 -5.45650 -12.56865 -Infinity 0.661401 -Infinity
17249
191 pt 18.43453 -5.72218 -14.42096 Infinity 0.639395 Infinity
17250
192 pt 17.29827 -6.28520 -11.60694 Infinity 0.696256 Infinity
17251
193 pt 6.85501 -6.63346 -9.49675 -Infinity 1.048823 -Infinity
17252
194 pt 8.36015 -5.61880 -10.02219 Infinity 1.019338 Infinity
17253
195 pt 6.14762 -7.53679 -10.99830 Infinity 0.974317 Infinity
17254
196 pt 7.28606 3.21664 -13.81085 -Infinity 1.068955 -Infinity
17255
197 pt 7.94021 4.98920 -13.77607 Infinity 1.043520 Infinity
17256
198 pt 6.28510 2.94439 -15.39042 Infinity 1.006484 Infinity
17257
199 pt 18.09287 -0.64846 -10.51917 -Infinity 0.750686 -Infinity
17258
200 pt 16.96801 0.45206 -11.56540 Infinity 0.774966 Infinity
17259
201 pt 18.10760 -2.39731 -11.23497 Infinity 0.724848 Infinity
17260
202 pt 16.49243 -0.69587 -17.13454 -Infinity 0.671952 -Infinity
17261
203 pt 14.82802 -0.98991 -17.97973 Infinity 0.686134 Infinity
17262
204 pt 17.49224 -2.29944 -17.13485 Infinity 0.643301 Infinity
17263
205 pt 18.34755 3.21852 -7.00221 -Infinity 0.809590 -Infinity
17264
206 pt 18.15791 1.76321 -8.19266 Infinity 0.797323 Infinity
17265
207 pt 17.55067 4.75766 -7.75528 Infinity 0.830080 Infinity
17266
208 pt 14.37975 -6.41974 -20.43671 -Infinity 0.604913 -Infinity
17267
209 pt 13.11043 -7.60424 -19.69050 Infinity 0.622623 Infinity
17268
210 pt 13.63116 -4.68904 -20.56068 Infinity 0.627196 Infinity
17269
211 pt 18.69242 -5.53021 -17.80981 -Infinity 0.590367 -Infinity
17270
212 pt 19.60333 -7.17959 -17.66544 Infinity 0.566187 Infinity
17271
213 pt 17.14996 -5.75273 -18.87863 Infinity 0.596792 Infinity
17272
214 pt 15.32871 2.62861 -13.27352 -Infinity 0.798868 -Infinity
17273
215 pt 15.60764 4.48033 -13.52732 Infinity 0.784693 Infinity
17274
216 pt 15.75375 1.70256 -14.86501 Infinity 0.746689 Infinity
17275
217 pt 12.13377 -1.76044 -19.54096 -Infinity 0.693973 -Infinity
17276
218 pt 11.31598 -0.49592 -20.68258 Infinity 0.686677 Infinity
17277
219 pt 10.83339 -2.50463 -18.38934 Infinity 0.739743 Infinity
17278
220 pt 10.79348 -4.03850 -11.69169 -Infinity 0.922118 -Infinity
17279
221 pt 10.24394 -4.17550 -13.49454 Infinity 0.877222 Infinity
17280
222 pt 10.91581 -2.21632 -11.20610 Infinity 0.975854 Infinity
17281
223 pt 10.94455 1.05125 -10.90194 -Infinity 1.043373 -Infinity
17282
224 pt 12.62008 1.70127 -11.48599 Infinity 0.947678 Infinity
17283
225 pt 9.57066 1.81774 -11.94884 Infinity 1.069230 Infinity
17284
226 pt -20.51211 13.56484 -11.32196 -Infinity 0.651645 -Infinity
17285
227 pt -21.63186 15.03295 -10.91964 Infinity 0.617108 Infinity
17286
228 pt -21.18440 12.65469 -12.83547 Infinity 0.629491 Infinity
17287
229 pt -10.46523 8.63279 -8.09919 -Infinity 1.215538 -Infinity
17288
230 pt -11.63953 7.17420 -7.84504 Infinity 1.188216 Infinity
17289
231 pt -11.46415 10.18184 -8.51590 Infinity 1.083016 Infinity
17290
232 pt -8.15589 14.57249 -12.86742 -Infinity 0.896664 -Infinity
17291
233 pt -9.14653 13.06968 -13.44296 Infinity 0.897871 Infinity
17292
234 pt -7.96229 14.51864 -10.98841 Infinity 0.967300 Infinity
17293
235 pt -17.59378 8.01631 -18.38067 -Infinity 0.648045 -Infinity
17294
236 pt -17.41511 6.38182 -19.31211 Infinity 0.640092 Infinity
17295
237 pt -18.07825 7.67073 -16.58709 Infinity 0.673524 Infinity
17296
238 pt -10.47256 10.04329 -14.53197 -Infinity 0.891915 -Infinity
17297
239 pt -11.28526 8.48432 -13.83901 Infinity 0.919905 Infinity
17298
240 pt -11.58696 10.79990 -15.85738 Infinity 0.807196 Infinity
17299
241 pt -15.75698 15.93881 -12.14329 -Infinity 0.710754 -Infinity
17300
242 pt -17.40102 15.04925 -11.86603 Infinity 0.693676 Infinity
17301
243 pt -15.74132 17.55526 -11.16456 Infinity 0.696170 Infinity
17302
244 pt -7.46750 19.13556 -14.92646 -Infinity 0.728698 -Infinity
17303
245 pt -7.66246 17.40040 -14.20377 Infinity 0.785901 Infinity
17304
246 pt -8.55463 20.34549 -13.96455 Infinity 0.707292 Infinity
17305
247 pt -10.53623 7.73401 -20.48594 -Infinity 0.719586 -Infinity
17306
248 pt -10.80886 6.05829 -19.65607 Infinity 0.748259 Infinity
17307
249 pt -11.67098 9.02172 -19.69525 Infinity 0.715172 Infinity
17308
250 pt -14.36922 17.86718 -17.06409 -Infinity 0.627040 -Infinity
17309
251 pt -14.75110 17.00461 -15.42665 Infinity 0.659712 Infinity
17310
252 pt -14.51662 19.73791 -16.84115 Infinity 0.602571 Infinity
17311
253 pt -12.66498 13.32471 -8.67150 -Infinity 0.924029 -Infinity
17312
254 pt -13.65321 14.07267 -10.09805 Infinity 0.839151 Infinity
17313
255 pt -13.49630 13.76043 -7.03135 Infinity 0.913082 Infinity
17314
256 pt -13.67825 11.26792 -18.59654 -Infinity 0.689288 -Infinity
17315
257 pt -14.24621 12.83372 -19.48914 Infinity 0.646418 Infinity
17316
258 pt -15.15896 10.12671 -18.32050 Infinity 0.679841 Infinity
17317
259 pt -9.55335 17.21485 -19.29745 -Infinity 0.653487 -Infinity
17318
260 pt -11.34680 17.11208 -18.71090 Infinity 0.647210 Infinity
17319
261 pt -8.50754 18.07804 -17.98130 Infinity 0.676270 Infinity
17320
262 pt -16.11527 15.20523 -21.27372 -Infinity 0.570813 -Infinity
17321
263 pt -15.75160 16.40770 -19.86203 Infinity 0.584675 Infinity
17322
264 pt -16.14013 16.14542 -22.91277 Infinity 0.539937 Infinity
17323
265 pt -15.56831 20.36334 -9.39387 -Infinity 0.666164 -Infinity
17324
266 pt -16.07070 22.00869 -10.17584 Infinity 0.621046 Infinity
17325
267 pt -16.21942 20.28211 -7.62172 Infinity 0.671475 Infinity
17326
268 pt -5.83197 9.47564 -18.95145 -Infinity 0.817567 -Infinity
17327
269 pt -7.58200 8.93917 -19.42118 Infinity 0.784931 Infinity
17328
270 pt -5.66627 9.50965 -17.06931 Infinity 0.897346 Infinity
17329
271 pt 3.38444 18.20483 -19.47592 -Infinity 0.671806 -Infinity
17330
272 pt 1.56555 18.01042 -19.95018 Infinity 0.671027 Infinity
17331
273 pt 4.34355 16.66657 -20.00972 Infinity 0.680393 Infinity
17332
274 pt -5.40748 14.21745 -21.14230 -Infinity 0.688574 -Infinity
17333
275 pt -5.41256 12.47925 -20.40087 Infinity 0.732648 Infinity
17334
276 pt -6.94635 15.15246 -20.56897 Infinity 0.678960 Infinity
17335
277 pt 1.81482 7.96249 -17.37456 -Infinity 0.938078 -Infinity
17336
278 pt 1.91184 9.15838 -15.91459 Infinity 0.996959 Infinity
17337
279 pt 2.11320 8.90639 -18.98424 Infinity 0.847343 Infinity
17338
280 pt -2.39330 19.06226 -15.80485 -Infinity 0.745979 -Infinity
17339
281 pt -4.25566 19.13874 -15.49364 Infinity 0.742879 Infinity
17340
282 pt -2.07352 18.64940 -17.62098 Infinity 0.713320 Infinity
17341
283 pt -1.68243 19.08770 -8.26698 -Infinity 0.933901 -Infinity
17342
284 pt -3.51004 19.43634 -7.93633 Infinity 0.912269 Infinity
17343
285 pt -0.81902 18.65372 -6.64302 Infinity 0.995688 Infinity
17344
286 pt 0.52000 16.42954 -12.34772 -Infinity 0.934804 -Infinity
17345
287 pt -0.15326 16.97691 -10.66898 Infinity 0.971187 Infinity
17346
288 pt -0.61747 17.05878 -13.71931 Infinity 0.865957 Infinity
17347
289 pt 1.98065 6.69706 -10.83120 -Infinity 1.515935 -Infinity
17348
290 pt 2.12079 8.35914 -11.71941 Infinity 1.337336 Infinity
17349
291 pt 3.13419 6.68229 -9.33447 Infinity 1.678329 Infinity
17350
292 pt -3.42663 11.77689 -8.96840 -Infinity 1.359557 -Infinity
17351
293 pt -1.84662 12.20826 -8.02577 Infinity 1.431715 Infinity
17352
294 pt -4.79607 12.98904 -8.49257 Infinity 1.255456 Infinity
17353
295 pt -1.69235 17.86562 -20.75921 -Infinity 0.657141 -Infinity
17354
296 pt -2.77241 16.31592 -20.70484 Infinity 0.680603 Infinity
17355
297 pt -2.14214 18.89517 -22.27867 Infinity 0.610602 Infinity
17356
298 pt 2.49165 11.35974 -13.31675 -Infinity 1.080663 -Infinity
17357
299 pt 4.29090 11.88129 -13.56519 Infinity 1.017041 Infinity
17358
300 pt 1.45562 12.86984 -12.85057 Infinity 1.058160 Infinity
17359
301 pt 4.15250 19.68005 -14.52756 -Infinity 0.745110 -Infinity
17360
302 pt 4.10419 19.22717 -16.36158 Infinity 0.716185 Infinity
17361
303 pt 3.17465 18.40250 -13.53622 Infinity 0.812414 Infinity
17362
304 pt -5.34370 9.06368 -13.58434 -Infinity 1.103233 -Infinity
17363
305 pt -4.56432 10.12323 -12.22751 Infinity 1.179277 Infinity
17364
306 pt -7.21177 9.34763 -13.61180 Infinity 1.042544 Infinity
17365
307 pt 5.51933 12.74781 -7.79953 -Infinity 1.249111 -Infinity
17366
308 pt 6.84931 11.60320 -8.50103 Infinity 1.219991 Infinity
17367
309 pt 6.04123 14.54718 -8.04637 Infinity 1.103433 Infinity
17368
310 pt 7.55440 17.69532 -8.34983 -Infinity 0.900699 -Infinity
17369
311 pt 8.93146 16.86305 -7.35882 Infinity 0.918966 Infinity
17370
312 pt 8.25729 18.35604 -9.97478 Infinity 0.828673 Infinity
17371
313 pt 12.51244 8.26334 -17.98032 -Infinity 0.732370 -Infinity
17372
314 pt 12.76222 7.06122 -19.41684 Infinity 0.698263 Infinity
17373
315 pt 12.89608 10.02209 -18.55537 Infinity 0.697280 Infinity
17374
316 pt 15.15891 14.50930 -15.18404 -Infinity 0.674494 -Infinity
17375
317 pt 14.53034 13.69579 -16.76964 Infinity 0.667917 Infinity
17376
318 pt 16.96794 15.00876 -15.40546 Infinity 0.632406 Infinity
17377
319 pt 11.69219 13.42592 -11.37757 -Infinity 0.854859 -Infinity
17378
320 pt 13.10797 13.80735 -12.56968 Infinity 0.780160 Infinity
17379
321 pt 12.02058 14.26792 -9.71798 Infinity 0.862676 Infinity
17380
322 pt 19.34260 17.78521 -10.15277 -Infinity 0.615273 -Infinity
17381
323 pt 20.00734 18.81379 -11.59194 Infinity 0.579751 Infinity
17382
324 pt 17.61214 18.38886 -9.69215 Infinity 0.642668 Infinity
17383
325 pt 14.81931 20.47551 -9.64199 -Infinity 0.657750 -Infinity
17384
326 pt 12.98044 20.09699 -9.42676 Infinity 0.699959 Infinity
17385
327 pt 15.06827 21.53925 -11.18392 Infinity 0.620271 Infinity
17386
328 pt 14.98961 21.15041 -20.51338 -Infinity 0.525904 -Infinity
17387
329 pt 16.21386 22.53868 -20.89414 Infinity 0.498388 Infinity
17388
330 pt 13.51704 21.26689 -21.69195 Infinity 0.523652 Infinity
17389
331 pt 13.89715 12.83430 -19.90002 -Infinity 0.628985 -Infinity
17390
332 pt 15.54440 12.73368 -20.82060 Infinity 0.591784 Infinity
17391
333 pt 12.66682 13.84588 -20.91690 Infinity 0.617099 Infinity
17392
334 pt 19.90037 11.17114 -7.02001 -Infinity 0.710074 -Infinity
17393
335 pt 21.11675 11.41616 -8.44530 Infinity 0.663338 Infinity
17394
336 pt 19.66652 12.80624 -6.10195 Infinity 0.704767 Infinity
17395
337 pt 15.86265 7.87113 -13.98274 -Infinity 0.752156 -Infinity
17396
338 pt 14.54441 7.97841 -15.33249 Infinity 0.755201 Infinity
17397
339 pt 17.31746 8.99071 -14.43124 Infinity 0.698453 Infinity
17398
340 pt 16.39510 7.65081 -8.74053 -Infinity 0.843468 -Infinity
17399
341 pt 16.02357 7.79591 -10.58769 Infinity 0.820177 Infinity
17400
342 pt 17.57345 9.03467 -8.22335 Infinity 0.793752 Infinity
17401
343 pt 7.35600 12.96715 -14.14003 -Infinity 0.894688 -Infinity
17402
344 pt 7.55476 14.02923 -15.69037 Infinity 0.813266 Infinity
17403
345 pt 8.83937 13.23169 -12.99956 Infinity 0.892268 Infinity
17404
346 pt 9.16169 19.75379 -12.73455 -Infinity 0.723107 -Infinity
17405
347 pt 10.48557 19.52284 -14.06311 Infinity 0.687079 Infinity
17406
348 pt 7.45231 19.75247 -13.54023 Infinity 0.730997 Infinity
17407
349 pt 19.08923 7.72277 -19.74191 -Infinity 0.584274 -Infinity
17408
350 pt 19.73363 8.29807 -21.42264 Infinity 0.549984 Infinity
17409
351 pt 18.67400 5.88097 -19.82214 Infinity 0.594112 Infinity
17410
352 pt 19.79473 20.54211 -14.54934 -Infinity 0.539435 -Infinity
17411
353 pt 20.98723 21.54736 -15.61633 Infinity 0.507320 Infinity
17412
354 pt 18.17455 21.49337 -14.34643 Infinity 0.550648 Infinity
17413
355 pt 8.64408 15.94060 -18.12349 -Infinity 0.697315 -Infinity
17414
356 pt 9.97515 17.12258 -17.48928 Infinity 0.675057 Infinity
17415
357 pt 8.94242 15.57806 -19.95397 Infinity 0.659181 Infinity
17416
358 pt 8.82610 8.03359 -14.40709 -Infinity 0.948667 -Infinity
17417
359 pt 8.04664 9.75466 -14.44484 Infinity 0.940236 Infinity
17418
360 pt 10.17939 7.92488 -15.72156 Infinity 0.858296 Infinity
17419
361 pt 9.29235 9.05845 -9.37457 -Infinity 1.150277 -Infinity
17420
362 pt 10.64759 10.37465 -9.41935 Infinity 1.035877 Infinity
17421
363 pt 9.11065 8.28139 -11.08752 Infinity 1.093928 Infinity
17422
364 pt 12.59674 18.81045 -16.48611 -Infinity 0.632506 -Infinity
17423
365 pt 13.51650 19.77200 -17.82795 Infinity 0.588861 Infinity
17424
366 pt 13.68256 17.39196 -15.86973 Infinity 0.647988 Infinity
17425
367 pt 19.85646 15.93878 -16.90110 -Infinity 0.559859 -Infinity
17426
368 pt 19.89667 16.39187 -18.73527 Infinity 0.535911 Infinity
17427
369 pt 20.11653 17.49490 -15.86095 Infinity 0.553303 Infinity
17428
370 pt 20.01770 10.81345 -15.74679 -Infinity 0.609918 -Infinity
17429
371 pt 19.77106 9.70772 -17.25927 Infinity 0.600322 Infinity
17430
372 pt 20.13917 12.61723 -16.29697 Infinity 0.588651 Infinity
17431
373 pt -10.99977 -18.26673 -1.58816 -Infinity 0.660355 -Infinity
17432
374 pt -12.19117 -16.96507 -0.91191 Infinity 0.677622 Infinity
17433
375 pt -9.67840 -17.42452 -2.64444 Infinity 0.696663 Infinity
17434
376 pt -17.07083 -16.08790 3.90695 -Infinity 0.611930 -Infinity
17435
377 pt -15.88624 -15.62048 2.51077 Infinity 0.644755 Infinity
17436
378 pt -17.82565 -14.52065 4.64521 Infinity 0.623939 Infinity
17437
379 pt -7.64994 -15.34516 -4.31899 -Infinity 0.780911 -Infinity
17438
380 pt -5.84106 -15.10073 -3.82983 Infinity 0.814777 Infinity
17439
381 pt -8.56352 -13.69504 -4.20267 Infinity 0.828839 Infinity
17440
382 pt -18.71629 -16.46953 -4.51881 -Infinity 0.587001 -Infinity
17441
383 pt -19.33043 -15.17994 -3.28153 Infinity 0.601192 Infinity
17442
384 pt -19.81720 -16.44496 -6.05453 Infinity 0.567066 Infinity
17443
385 pt -9.86957 -10.73162 -3.77468 -Infinity 0.926372 -Infinity
17444
386 pt -8.61630 -10.35946 -2.41018 Infinity 0.991113 Infinity
17445
387 pt -11.58602 -10.16103 -3.22759 Infinity 0.902805 Infinity
17446
388 pt -10.02704 -11.78005 3.35270 -Infinity 0.861750 -Infinity
17447
389 pt -8.56522 -11.65389 2.16181 Infinity 0.914015 Infinity
17448
390 pt -10.23787 -10.14071 4.26877 Infinity 0.909082 Infinity
17449
391 pt -13.61008 -14.11735 0.31860 -Infinity 0.726643 -Infinity
17450
392 pt -12.36112 -13.30666 1.48219 Infinity 0.771245 Infinity
17451
393 pt -14.28235 -12.82488 -0.88499 Infinity 0.748807 Infinity
17452
394 pt -18.89251 -11.57912 5.90746 -Infinity 0.646030 -Infinity
17453
395 pt -17.49418 -10.44902 6.48935 Infinity 0.688826 Infinity
17454
396 pt -19.96401 -10.66109 4.65041 Infinity 0.647484 Infinity
17455
397 pt -17.70216 -20.26342 6.80328 -Infinity 0.526231 -Infinity
17456
398 pt -18.03040 -19.64990 8.56024 Infinity 0.522511 Infinity
17457
399 pt -17.52633 -18.78391 5.64087 Infinity 0.554398 Infinity
17458
400 pt -16.47243 -7.48574 1.83748 -Infinity 0.818378 -Infinity
17459
401 pt -15.80436 -7.69941 3.59221 Infinity 0.821161 Infinity
17460
402 pt -18.32419 -7.86210 1.81717 Infinity 0.751774 Infinity
17461
403 pt -10.83510 -16.28218 6.09084 -Infinity 0.681194 -Infinity
17462
404 pt -10.06555 -17.55492 4.92508 Infinity 0.668077 Infinity
17463
405 pt -10.60375 -14.54902 5.37413 Infinity 0.737129 Infinity
17464
406 pt -14.75564 -9.61334 -2.50366 -Infinity 0.824950 -Infinity
17465
407 pt -15.44173 -8.47213 -3.84455 Infinity 0.828665 Infinity
17466
408 pt -15.26894 -8.96859 -0.80310 Infinity 0.829305 Infinity
17467
409 pt -15.26509 -7.85029 6.85545 -Infinity 0.791714 -Infinity
17468
410 pt -13.44174 -7.38507 6.68219 Infinity 0.861336 Infinity
17469
411 pt -16.24579 -6.34823 7.44967 Infinity 0.784646 Infinity
17470
412 pt -9.15443 -20.04401 2.90456 -Infinity 0.628151 -Infinity
17471
413 pt -9.72710 -21.82637 3.16202 Infinity 0.584775 Infinity
17472
414 pt -9.67217 -19.45717 1.18449 Infinity 0.642727 Infinity
17473
415 pt 4.74258 -10.87172 2.62638 -Infinity 1.005538 -Infinity
17474
416 pt 5.45484 -12.53618 3.16797 Infinity 0.899339 Infinity
17475
417 pt 5.78503 -9.47292 3.35281 Infinity 1.049022 Infinity
17476
418 pt 1.39284 -12.03771 -5.60171 -Infinity 0.972260 -Infinity
17477
419 pt 1.90546 -13.30980 -6.90172 Infinity 0.883376 Infinity
17478
420 pt 2.79707 -11.80479 -4.35875 Infinity 0.989442 Infinity
17479
421 pt -5.13491 -20.95882 6.01154 -Infinity 0.615823 -Infinity
17480
422 pt -4.30843 -22.59384 5.54817 Infinity 0.586194 Infinity
17481
423 pt -6.38209 -20.48113 4.67460 Infinity 0.628835 Infinity
17482
424 pt 0.80651 -14.65012 6.66279 -Infinity 0.803823 -Infinity
17483
425 pt 1.28652 -15.88758 5.31767 Infinity 0.775593 Infinity
17484
426 pt 0.34535 -12.99968 5.86629 Infinity 0.886339 Infinity
17485
427 pt 2.05844 -18.14120 3.17918 -Infinity 0.715990 -Infinity
17486
428 pt 2.05712 -19.83688 4.01329 Infinity 0.662219 Infinity
17487
429 pt 0.99255 -18.20417 1.62002 Infinity 0.725206 Infinity
17488
430 pt 5.51210 -11.81957 -2.46072 -Infinity 0.958222 -Infinity
17489
431 pt 5.14300 -11.37462 -0.66160 Infinity 0.994012 Infinity
17490
432 pt 6.27711 -13.54573 -2.53959 Infinity 0.861227 Infinity
17491
433 pt 3.41913 -19.86918 -3.86380 -Infinity 0.666338 -Infinity
17492
434 pt 3.58603 -20.32872 -5.68918 Infinity 0.646082 Infinity
17493
435 pt 3.85301 -21.36547 -2.79425 Infinity 0.628604 Infinity
17494
436 pt 6.55189 -15.50132 3.81207 -Infinity 0.761626 -Infinity
17495
437 pt 7.58632 -16.40609 5.10915 Infinity 0.710714 Infinity
17496
438 pt 5.02946 -16.53620 3.38510 Infinity 0.747161 Infinity
17497
439 pt -0.79122 -18.45813 -1.21444 -Infinity 0.724179 -Infinity
17498
440 pt 0.69390 -18.89522 -2.29816 Infinity 0.707877 Infinity
17499
441 pt -2.03096 -19.88416 -1.23801 Infinity 0.679130 Infinity
17500
442 pt -2.83509 -13.97796 -2.79862 -Infinity 0.897062 -Infinity
17501
443 pt -1.49241 -13.11309 -3.80870 Infinity 0.941190 Infinity
17502
444 pt -2.12830 -15.55071 -2.02533 Infinity 0.830337 Infinity
17503
445 pt -0.17213 -10.23511 4.23728 -Infinity 1.076314 -Infinity
17504
446 pt 1.57478 -10.29570 3.51915 Infinity 1.077941 Infinity
17505
447 pt -1.26928 -9.15872 3.13788 Infinity 1.186131 Infinity
17506
448 pt -6.12881 -10.84941 -0.06946 -Infinity 1.031756 -Infinity
17507
449 pt -4.94119 -12.04280 -0.92763 Infinity 0.984537 Infinity
17508
450 pt -5.18635 -9.30526 0.47683 Infinity 1.160534 Infinity
17509
451 pt 7.76587 -7.18949 4.61040 -Infinity 1.079898 -Infinity
17510
452 pt 9.38294 -7.68425 3.76699 Infinity 1.009858 Infinity
17511
453 pt 8.12031 -6.64741 6.38567 Infinity 1.038751 Infinity
17512
454 pt 17.83888 -21.01196 -0.73842 -Infinity 0.520120 -Infinity
17513
455 pt 16.80782 -21.52340 0.76038 Infinity 0.522369 Infinity
17514
456 pt 17.74481 -19.13751 -0.95902 Infinity 0.547543 Infinity
17515
457 pt 10.07090 -19.80001 0.44174 -Infinity 0.620399 -Infinity
17516
458 pt 8.83641 -20.63470 1.60379 Infinity 0.611327 Infinity
17517
459 pt 11.72869 -19.59367 1.32504 Infinity 0.606098 Infinity
17518
460 pt 17.98758 -20.08073 -6.03316 -Infinity 0.524276 -Infinity
17519
461 pt 16.66586 -20.87587 -7.12489 Infinity 0.523379 Infinity
17520
462 pt 17.82063 -20.72972 -4.26624 Infinity 0.521316 Infinity
17521
463 pt 16.77543 -16.03420 -1.64681 -Infinity 0.609981 -Infinity
17522
464 pt 16.47153 -16.29732 -3.49328 Infinity 0.607519 Infinity
17523
465 pt 15.31657 -15.09788 -0.89440 Infinity 0.651334 Infinity
17524
466 pt 21.35337 -8.75197 2.25170 -Infinity 0.630580 -Infinity
17525
467 pt 20.93489 -10.03358 0.92753 Infinity 0.626508 Infinity
17526
468 pt 20.19563 -7.26811 2.08185 Infinity 0.676905 Infinity
17527
469 pt 20.71889 -12.57715 -1.40566 -Infinity 0.598198 -Infinity
17528
470 pt 19.86507 -11.24471 -2.43846 Infinity 0.632383 Infinity
17529
471 pt 19.53435 -14.02546 -1.14046 Infinity 0.598123 Infinity
17530
472 pt 8.75084 -8.62873 -5.08565 -Infinity 1.003204 -Infinity
17531
473 pt 7.48728 -9.63931 -4.10933 Infinity 1.008979 Infinity
17532
474 pt 7.93408 -7.92865 -6.63930 Infinity 1.036844 Infinity
17533
475 pt 13.08369 -11.32583 -4.44239 -Infinity 0.778860 -Infinity
17534
476 pt 11.55386 -10.28221 -4.81861 Infinity 0.848815 Infinity
17535
477 pt 12.89102 -12.13987 -2.74791 Infinity 0.768676 Infinity
17536
478 pt 12.69862 -8.82523 2.88447 -Infinity 0.858929 -Infinity
17537
479 pt 13.18548 -8.66099 4.70300 Infinity 0.827761 Infinity
17538
480 pt 13.06558 -7.20475 1.98422 Infinity 0.904959 Infinity
17539
481 pt 7.36721 -16.67962 -2.84938 -Infinity 0.730618 -Infinity
17540
482 pt 5.80780 -17.68138 -3.21786 Infinity 0.715302 Infinity
17541
483 pt 8.43284 -17.60929 -1.59590 Infinity 0.692861 Infinity
17542
484 pt 17.75983 -9.22630 -3.76178 -Infinity 0.709829 -Infinity
17543
485 pt 16.06501 -10.02632 -4.00392 Infinity 0.736638 Infinity
17544
486 pt 17.67783 -7.40821 -4.27056 Infinity 0.742445 Infinity
17545
487 pt 10.41894 -17.56462 -7.19963 -Infinity 0.648680 -Infinity
17546
488 pt 11.16534 -19.14737 -6.48630 Infinity 0.610613 Infinity
17547
489 pt 9.21864 -16.81336 -5.94824 Infinity 0.689508 Infinity
17548
490 pt 14.38782 -19.25403 3.15849 -Infinity 0.578254 -Infinity
17549
491 pt 15.53901 -17.75700 3.08971 Infinity 0.590406 Infinity
17550
492 pt 14.13487 -19.77329 4.95778 Infinity 0.565492 Infinity
17551
493 pt 12.70395 -13.36259 0.30635 -Infinity 0.740097 -Infinity
17552
494 pt 11.22991 -14.37823 0.91192 Infinity 0.739488 Infinity
17553
495 pt 12.80417 -11.74985 1.28619 Infinity 0.779435 Infinity
17554
496 pt -21.21176 -2.74352 -5.23845 -Infinity 0.728841 -Infinity
17555
497 pt -20.62475 -1.83662 -6.78893 Infinity 0.743716 Infinity
17556
498 pt -22.97511 -3.36934 -5.50310 Infinity 0.671039 Infinity
17557
499 pt -9.82237 2.07313 -3.93727 -Infinity 1.648168 -Infinity
17558
500 pt -11.01953 2.75680 -5.22973 Infinity 1.426845 Infinity
17559
501 pt -8.05343 2.54879 -4.40165 Infinity 1.960561 Infinity
17560
502 pt -7.84175 2.66253 6.20742 -Infinity 1.551384 -Infinity
17561
503 pt -6.93559 2.18113 4.62054 Infinity 1.858509 Infinity
17562
504 pt -9.69660 2.77736 5.86477 Infinity 1.396113 Infinity
17563
505 pt -15.02455 -3.39122 -0.90354 -Infinity 1.001007 -Infinity
17564
506 pt -15.72488 -4.71163 0.25280 Infinity 0.926484 Infinity
17565
507 pt -15.44504 -3.83182 -2.69243 Infinity 0.961559 Infinity
17566
508 pt -15.66201 5.16402 -2.15399 -Infinity 1.054390 -Infinity
17567
509 pt -17.37758 4.68697 -2.78670 Infinity 0.947024 Infinity
17568
510 pt -14.89413 3.69608 -1.24482 Infinity 1.121129 Infinity
17569
511 pt -13.07788 1.29959 0.05320 -Infinity 1.261704 -Infinity
17570
512 pt -11.72321 1.54478 -1.24133 Infinity 1.423276 Infinity
17571
513 pt -13.91130 -0.37508 -0.21510 Infinity 1.154170 Infinity
17572
514 pt -13.04267 2.70866 5.09844 -Infinity 1.150977 -Infinity
17573
515 pt -13.00606 2.23875 3.26843 Infinity 1.213963 Infinity
17574
516 pt -14.21247 1.54882 6.02440 Infinity 1.034058 Infinity
17575
517 pt -20.06184 3.36761 -3.83545 -Infinity 0.814026 -Infinity
17576
518 pt -21.27056 3.45177 -5.28561 Infinity 0.758346 Infinity
17577
519 pt -20.58930 1.99070 -2.65352 Infinity 0.795700 Infinity
17578
520 pt -10.48389 -4.41556 1.33638 -Infinity 1.241311 -Infinity
17579
521 pt -12.10646 -4.03127 0.44719 Infinity 1.156901 Infinity
17580
522 pt -9.03437 -3.76452 0.31358 Infinity 1.427932 Infinity
17581
523 pt -13.47419 4.66650 -6.82696 -Infinity 1.131359 -Infinity
17582
524 pt -14.38481 4.95985 -5.19730 Infinity 1.107357 Infinity
17583
525 pt -14.72487 4.26203 -8.18463 Infinity 1.010553 Infinity
17584
526 pt -16.69781 -5.62436 -5.35652 -Infinity 0.841334 -Infinity
17585
527 pt -18.39320 -4.79026 -5.38778 Infinity 0.795242 Infinity
17586
528 pt -15.56953 -4.80836 -6.63410 Infinity 0.887685 Infinity
17587
529 pt -10.19211 -6.99024 5.65675 -Infinity 1.014441 -Infinity
17588
530 pt -10.38535 -6.03807 4.03592 Infinity 1.094510 Infinity
17589
531 pt -8.51457 -6.58843 6.42842 Infinity 1.073145 Infinity
17590
532 pt 5.52739 2.65014 -4.06066 -Infinity 2.354842 -Infinity
17591
533 pt 6.35202 3.17835 -2.44448 Infinity 2.303388 Infinity
17592
534 pt 5.39337 4.13905 -5.21663 Infinity 2.230277 Infinity
17593
535 pt -1.60006 -3.19207 4.38461 -Infinity 1.816028 -Infinity
17594
536 pt -1.72763 -1.30796 4.45469 Infinity 2.126725 Infinity
17595
537 pt 0.21918 -3.69933 4.32056 Infinity 1.743743 Infinity
17596
538 pt -4.89814 3.24662 -4.94567 -Infinity 2.767571 -Infinity
17597
539 pt -5.04707 5.07106 -5.41504 Infinity 2.484232 Infinity
17598
540 pt -3.65273 3.05714 -3.53708 Infinity 4.120752 Infinity
17599
541 pt 0.58719 1.91585 5.69951 -Infinity 2.237338 -Infinity
17600
542 pt 0.32008 3.74585 6.08789 Infinity 2.193933 Infinity
17601
543 pt 2.28304 1.68168 4.89931 Infinity 2.306624 Infinity
17602
544 pt -3.04632 -6.84228 1.07758 -Infinity 1.460611 -Infinity
17603
545 pt -2.80697 -6.13149 -0.65694 Infinity 1.599132 Infinity
17604
546 pt -2.69092 -5.50323 2.36276 Infinity 1.604929 Infinity
17605
547 pt -7.05567 -2.18751 -1.77847 -Infinity 1.862916 -Infinity
17606
548 pt -7.91456 -1.08953 -3.05432 Infinity 1.817341 Infinity
17607
549 pt -5.46250 -2.88552 -2.51715 Infinity 1.961531 Infinity
17608
550 pt -2.43542 -4.22659 -3.42350 -Infinity 1.903404 -Infinity
17609
551 pt -2.14841 -5.47038 -4.81694 Infinity 1.603033 Infinity
17610
552 pt -1.03112 -2.96217 -3.40721 Infinity 2.267642 Infinity
17611
553 pt -5.62529 6.77305 1.45768 -Infinity 2.445436 -Infinity
17612
554 pt -6.71582 7.49058 0.09131 Infinity 2.158457 Infinity
17613
555 pt -5.83182 4.89534 1.50908 Infinity 2.683136 Infinity
17614
556 pt -5.66812 1.48064 1.69981 -Infinity 2.662020 -Infinity
17615
557 pt -3.99867 1.86173 0.90057 Infinity 3.923047 Infinity
17616
558 pt -6.52102 0.08948 0.74677 Infinity 2.297636 Infinity
17617
559 pt 1.94021 -1.34694 -4.30056 -Infinity 2.431589 -Infinity
17618
560 pt 3.24993 -0.00540 -4.06396 Infinity 2.588907 Infinity
17619
561 pt 2.26619 -2.26874 -5.91768 Infinity 1.939737 Infinity
17620
562 pt 5.34757 1.04923 3.70826 -Infinity 1.999918 -Infinity
17621
563 pt 5.98987 2.14257 2.30714 Infinity 2.152679 Infinity
17622
564 pt 6.65076 0.94138 5.07249 Infinity 1.629275 Infinity
17623
565 pt 3.61035 -3.88118 4.41975 -Infinity 1.561146 -Infinity
17624
566 pt 4.99799 -5.15309 4.25310 Infinity 1.364823 Infinity
17625
567 pt 4.23674 -2.18743 3.86306 Infinity 1.765784 Infinity
17626
568 pt 16.55098 -4.56507 -5.66567 -Infinity 0.820220 -Infinity
17627
569 pt 16.10202 -5.29853 -7.34839 Infinity 0.803538 Infinity
17628
570 pt 14.97081 -4.12486 -4.72739 Infinity 0.902494 Infinity
17629
571 pt 12.32977 3.20161 -0.44966 -Infinity 1.247954 -Infinity
17630
572 pt 12.49387 2.07325 1.05730 Infinity 1.208293 Infinity
17631
573 pt 14.03885 3.51422 -1.19290 Infinity 1.102335 Infinity
17632
574 pt 12.85310 0.36468 3.80632 -Infinity 1.096534 -Infinity
17633
575 pt 11.46515 0.47486 5.08402 Infinity 1.157064 Infinity
17634
576 pt 14.32256 1.40538 4.37965 Infinity 1.003282 Infinity
17635
577 pt 16.39470 3.96915 5.44334 -Infinity 0.883908 -Infinity
17636
578 pt 15.99966 5.80753 5.25526 Infinity 0.899504 Infinity
17637
579 pt 16.08589 3.43702 7.23011 Infinity 0.862698 Infinity
17638
580 pt 21.27507 3.59124 3.64663 -Infinity 0.718147 -Infinity
17639
581 pt 19.48454 3.60088 4.25074 Infinity 0.773787 Infinity
17640
582 pt 21.52872 2.15274 2.44770 Infinity 0.715557 Infinity
17641
583 pt 17.24679 3.47794 -2.06959 -Infinity 0.900736 -Infinity
17642
584 pt 18.23170 2.11594 -1.20590 Infinity 0.851498 Infinity
17643
585 pt 17.41560 3.28799 -3.94215 Infinity 0.882066 Infinity
17644
586 pt 18.49154 -4.12953 2.42115 -Infinity 0.767804 -Infinity
17645
587 pt 16.73925 -4.20485 1.71766 Infinity 0.834568 Infinity
17646
588 pt 18.41250 -4.09154 4.30884 Infinity 0.756428 Infinity
17647
589 pt 7.53357 4.48699 0.40332 -Infinity 1.972178 -Infinity
17648
590 pt 7.59406 6.06611 1.43956 Infinity 1.836220 Infinity
17649
591 pt 9.29018 3.97392 -0.06798 Infinity 1.635663 Infinity
17650
592 pt 20.65249 -0.46879 -0.62065 -Infinity 0.742012 -Infinity
17651
593 pt 21.10073 -1.36663 -2.22190 Infinity 0.720140 Infinity
17652
594 pt 19.94429 -1.70626 0.61959 Infinity 0.754219 Infinity
17653
595 pt 13.52226 -4.06900 1.02423 -Infinity 0.989295 -Infinity
17654
596 pt 13.09220 -2.48998 1.96911 Infinity 1.049684 Infinity
17655
597 pt 12.74060 -4.00812 -0.69517 Infinity 1.043342 Infinity
17656
598 pt 9.09712 -0.64342 -6.27013 -Infinity 1.359405 -Infinity
17657
599 pt 7.84481 0.56110 -5.52722 Infinity 1.602231 Infinity
17658
600 pt 9.85213 0.11293 -7.82864 Infinity 1.241326 Infinity
17659
601 pt 11.56978 -4.32772 -3.74549 -Infinity 1.084043 -Infinity
17660
602 pt 10.70353 -2.87590 -4.58984 Infinity 1.186952 Infinity
17661
603 pt 10.59355 -5.91476 -4.06068 Infinity 1.066262 Infinity
17662
604 pt -14.37489 14.79258 2.86219 -Infinity 0.877017 -Infinity
17663
605 pt -15.47905 14.28181 1.41615 Infinity 0.862858 Infinity
17664
606 pt -15.30356 14.53327 4.48743 Infinity 0.832988 Infinity
17665
607 pt -12.43164 7.91277 5.06407 -Infinity 1.139248 -Infinity
17666
608 pt -12.77931 6.05652 5.13127 Infinity 1.150802 Infinity
17667
609 pt -13.04589 8.61058 3.41882 Infinity 1.128004 Infinity
17668
610 pt -20.46172 8.37994 1.57159 -Infinity 0.775895 -Infinity
17669
611 pt -21.62526 8.42576 0.08326 Infinity 0.739893 Infinity
17670
612 pt -20.40127 6.62563 2.27144 Infinity 0.787318 Infinity
17671
613 pt -10.86252 18.03317 4.58925 -Infinity 0.857172 -Infinity
17672
614 pt -11.65106 19.20654 5.84323 Infinity 0.784167 Infinity
17673
615 pt -12.20392 16.96665 3.79287 Infinity 0.868167 Infinity
17674
616 pt -7.62740 9.69342 5.20696 -Infinity 1.414713 -Infinity
17675
617 pt -9.43537 9.14433 5.23531 Infinity 1.305448 Infinity
17676
618 pt -6.70486 8.75717 3.84923 Infinity 1.687486 Infinity
17677
619 pt -7.64291 14.62145 6.82715 -Infinity 1.041519 -Infinity
17678
620 pt -8.81645 15.74988 5.86771 Infinity 0.981211 Infinity
17679
621 pt -7.64062 12.90154 6.04421 Infinity 1.163341 Infinity
17680
622 pt -20.78295 18.64519 -0.96947 -Infinity 0.634249 -Infinity
17681
623 pt -22.28422 19.79279 -0.95368 Infinity 0.590076 Infinity
17682
624 pt -20.09737 18.47897 0.78365 Infinity 0.649071 Infinity
17683
625 pt -18.03113 12.78641 -0.37097 -Infinity 0.809669 -Infinity
17684
626 pt -18.79751 11.19562 0.30214 Infinity 0.807931 Infinity
17685
627 pt -19.39700 14.04201 -0.73004 Infinity 0.742397 Infinity
17686
628 pt -19.67270 18.34853 4.18051 -Infinity 0.646966 -Infinity
17687
629 pt -19.07920 19.95699 4.97529 Infinity 0.628289 Infinity
17688
630 pt -18.93722 16.87665 5.10987 Infinity 0.680189 Infinity
17689
631 pt -7.81310 14.55523 -7.57306 -Infinity 1.087834 -Infinity
17690
632 pt -7.71574 15.21060 -5.80330 Infinity 1.104176 Infinity
17691
633 pt -9.55634 13.90898 -7.91156 Infinity 1.043059 Infinity
17692
634 pt -12.91457 19.83860 -2.99530 -Infinity 0.779146 -Infinity
17693
635 pt -14.66101 20.20464 -3.61741 Infinity 0.728324 Infinity
17694
636 pt -12.10814 21.44060 -2.40004 Infinity 0.749943 Infinity
17695
637 pt -8.87660 13.43908 0.41733 -Infinity 1.227576 -Infinity
17696
638 pt -10.53235 13.62315 1.30935 Infinity 1.111832 Infinity
17697
639 pt -8.81469 11.76606 -0.45917 Infinity 1.368901 Infinity
17698
640 pt -13.92410 9.28422 0.20930 -Infinity 1.097616 -Infinity
17699
641 pt -15.16856 10.67930 -0.06660 Infinity 0.983384 Infinity
17700
642 pt -14.55155 7.70599 -0.61927 Infinity 1.098374 Infinity
17701
643 pt -8.63770 8.92540 -2.02873 -Infinity 1.640269 -Infinity
17702
644 pt -10.49533 8.60673 -2.16548 Infinity 1.430414 Infinity
17703
645 pt -7.82585 8.65763 -3.71403 Infinity 1.724513 Infinity
17704
646 pt -8.36053 17.33965 -2.88368 -Infinity 1.002564 -Infinity
17705
647 pt -8.42221 15.95092 -1.60357 Infinity 1.087492 Infinity
17706
648 pt -10.04043 18.20163 -2.96092 Infinity 0.911087 Infinity
17707
649 pt -17.64138 21.10221 -4.49208 -Infinity 0.647173 -Infinity
17708
650 pt -17.92012 22.97115 -4.47104 Infinity 0.609248 Infinity
17709
651 pt -18.78691 20.27924 -3.23448 Infinity 0.644445 Infinity
17710
652 pt -14.54629 14.75833 -4.13211 -Infinity 0.880073 -Infinity
17711
653 pt -14.06087 16.47714 -3.51475 Infinity 0.848736 Infinity
17712
654 pt -15.86954 14.03037 -2.99626 Infinity 0.858097 Infinity
17713
655 pt -1.04546 8.94451 2.24417 -Infinity 2.482963 -Infinity
17714
656 pt -2.65256 8.05187 1.80657 Infinity 2.723662 Infinity
17715
657 pt -0.44650 8.36965 3.94177 Infinity 2.277310 Infinity
17716
658 pt 5.16508 13.32438 6.05089 -Infinity 1.201573 -Infinity
17717
659 pt 7.05449 13.29983 6.07492 Infinity 1.126525 Infinity
17718
660 pt 4.50187 12.01581 7.24204 Infinity 1.244980 Infinity
17719
661 pt 1.96912 11.73598 -0.97359 -Infinity 1.882711 -Infinity
17720
662 pt 1.09758 10.57928 0.24030 Infinity 2.188298 Infinity
17721
663 pt 3.83434 11.67275 -0.67689 Infinity 1.753795 Infinity
17722
664 pt 0.76238 12.80549 -5.83943 -Infinity 1.531588 -Infinity
17723
665 pt 1.04282 12.24138 -4.05780 Infinity 1.725419 Infinity
17724
666 pt 2.40942 12.81194 -6.76586 Infinity 1.429356 Infinity
17725
667 pt 0.15043 17.50834 -3.76897 -Infinity 1.126809 -Infinity
17726
668 pt 1.73837 17.89872 -2.82181 Infinity 1.096990 Infinity
17727
669 pt 0.21617 15.73012 -4.40511 Infinity 1.268184 Infinity
17728
670 pt -3.54353 13.76947 1.45805 -Infinity 1.456690 -Infinity
17729
671 pt -2.76164 12.05159 1.55083 Infinity 1.734591 Infinity
17730
672 pt -5.38998 13.60336 1.09189 Infinity 1.402766 Infinity
17731
673 pt 2.22953 15.85317 2.70725 -Infinity 1.218756 -Infinity
17732
674 pt 1.35282 14.64550 1.54795 Infinity 1.387832 Infinity
17733
675 pt 3.30635 14.88966 3.92511 Infinity 1.237476 Infinity
17734
676 pt 2.11673 20.02869 5.67852 -Infinity 0.890236 -Infinity
17735
677 pt 1.23596 19.78645 7.33280 Infinity 0.872138 Infinity
17736
678 pt 1.84611 18.50721 4.59089 Infinity 0.991324 Infinity
17737
679 pt -6.69653 19.79347 -7.29387 -Infinity 0.867695 -Infinity
17738
680 pt -6.97570 19.52567 -5.44416 Infinity 0.900825 Infinity
17739
681 pt -7.32303 18.28920 -8.25081 Infinity 0.902249 Infinity
17740
682 pt -3.80636 20.07667 -1.62082 -Infinity 0.949860 -Infinity
17741
683 pt -2.40326 18.98149 -2.25562 Infinity 1.027341 Infinity
17742
684 pt -5.40970 19.07811 -1.56368 Infinity 0.982832 Infinity
17743
685 pt 7.18683 20.32977 4.21069 -Infinity 0.835630 -Infinity
17744
686 pt 5.40853 20.09761 4.80636 Infinity 0.865544 Infinity
17745
687 pt 7.75817 18.77138 3.30734 Infinity 0.898651 Infinity
17746
688 pt 4.39482 18.66951 -1.00442 -Infinity 1.010288 -Infinity
17747
689 pt 6.23176 18.23131 -0.93605 Infinity 0.994676 Infinity
17748
690 pt 3.49552 17.84579 0.43913 Infinity 1.075759 Infinity
17749
691 pt -5.81876 7.99782 -6.42792 -Infinity 1.826838 -Infinity
17750
692 pt -4.63187 9.19519 -7.28155 Infinity 1.708538 Infinity
17751
693 pt -7.52197 8.11249 -7.23845 Infinity 1.542338 Infinity
17752
694 pt 5.30559 7.12030 -6.74311 -Infinity 1.824638 -Infinity
17753
695 pt 6.93610 7.44340 -7.64205 Infinity 1.511977 Infinity
17754
696 pt 4.65078 8.73982 -6.02237 Infinity 1.837080 Infinity
17755
697 pt -3.27421 16.92805 5.59097 -Infinity 1.052374 -Infinity
17756
698 pt -2.79938 16.12479 3.94768 Infinity 1.164464 Infinity
17757
699 pt -4.83246 16.10226 6.26993 Infinity 1.054052 Infinity
17758
700 pt 10.51247 12.75893 5.91033 -Infinity 1.006234 -Infinity
17759
701 pt 11.46400 14.06131 4.92572 Infinity 0.943921 Infinity
17760
702 pt 11.55856 12.18785 7.37683 Infinity 0.940154 Infinity
17761
703 pt 21.02074 11.18789 5.73531 -Infinity 0.672430 -Infinity
17762
704 pt 21.66297 9.94321 4.46671 Infinity 0.675363 Infinity
17763
705 pt 20.70567 10.30882 7.37818 Infinity 0.672883 Infinity
17764
706 pt 11.20937 10.51555 -3.38202 -Infinity 1.166303 -Infinity
17765
707 pt 11.48668 8.96435 -4.42506 Infinity 1.186697 Infinity
17766
708 pt 12.62684 10.70720 -2.14706 Infinity 1.073951 Infinity
17767
709 pt 16.06061 9.92002 4.83481 -Infinity 0.857900 -Infinity
17768
710 pt 17.84160 10.54774 4.90630 Infinity 0.781411 Infinity
17769
711 pt 15.21809 10.22143 6.49926 Infinity 0.858748 Infinity
17770
712 pt 17.75792 17.66393 4.65603 -Infinity 0.674465 -Infinity
17771
713 pt 17.42673 18.04203 6.47768 Infinity 0.660995 Infinity
17772
714 pt 19.60913 17.81332 4.30707 Infinity 0.635366 Infinity
17773
715 pt 14.98492 17.10309 -3.44561 -Infinity 0.775107 -Infinity
17774
716 pt 14.76780 16.76149 -1.59974 Infinity 0.795097 Infinity
17775
717 pt 16.74635 16.65916 -3.96652 Infinity 0.734336 Infinity
17776
718 pt 14.03992 15.74713 1.58747 -Infinity 0.838103 -Infinity
17777
719 pt 15.34080 16.47476 2.74909 Infinity 0.771723 Infinity
17778
720 pt 14.54356 13.99345 1.09552 Infinity 0.871173 Infinity
17779
721 pt 18.99372 8.50352 -2.41117 -Infinity 0.795401 -Infinity
17780
722 pt 19.44916 9.04610 -4.16310 Infinity 0.766239 Infinity
17781
723 pt 18.42889 6.70035 -2.43589 Infinity 0.833176 Infinity
17782
724 pt 8.85095 16.48082 0.99142 -Infinity 0.999155 -Infinity
17783
725 pt 10.73545 16.40647 1.11062 Infinity 0.933766 Infinity
17784
726 pt 8.17348 14.75558 0.62315 Infinity 1.127964 Infinity
17785
727 pt 7.14384 11.58929 -0.29709 -Infinity 1.454037 -Infinity
17786
728 pt 7.40502 10.45318 1.19022 Infinity 1.506692 Infinity
17787
729 pt 8.46422 11.23451 -1.60162 Infinity 1.367665 Infinity
17788
730 pt 19.81226 16.06567 -5.07812 -Infinity 0.662888 -Infinity
17789
731 pt 20.03935 16.89810 -6.75936 Infinity 0.637609 Infinity
17790
732 pt 20.82779 16.98519 -3.77648 Infinity 0.632481 Infinity
17791
733 pt 11.45764 14.85064 -6.33231 -Infinity 0.930643 -Infinity
17792
734 pt 11.11921 13.25384 -5.38006 Infinity 1.022336 Infinity
17793
735 pt 12.79668 15.84400 -5.44278 Infinity 0.862472 Infinity
17794
736 pt 12.05188 21.30956 -4.22413 -Infinity 0.730357 -Infinity
17795
737 pt 11.29609 21.78183 -2.55776 Infinity 0.737349 Infinity
17796
738 pt 13.19792 19.82400 -3.99882 Infinity 0.747608 Infinity
17797
739 pt 8.22931 8.58297 3.72201 -Infinity 1.445853 -Infinity
17798
740 pt 9.25766 10.05863 4.30164 Infinity 1.247983 Infinity
17799
741 pt 7.92217 7.41736 5.17737 Infinity 1.440270 Infinity
17800
742 pt 15.15190 10.95722 -0.04347 -Infinity 0.926274 -Infinity
17801
743 pt 15.25740 10.37303 1.75059 Infinity 0.923027 Infinity
17802
744 pt 16.58027 10.21533 -1.03363 Infinity 0.875676 Infinity
17803
745 pt -17.86368 -6.72740 21.14776 -Infinity 0.533447 -Infinity
17804
746 pt -17.49533 -7.28541 22.91525 Infinity 0.510922 Infinity
17805
747 pt -17.77187 -8.21400 19.98472 Infinity 0.539700 Infinity
17806
748 pt -17.83772 -10.42268 17.78666 -Infinity 0.548716 -Infinity
17807
749 pt -17.79931 -10.25219 15.90503 Infinity 0.574169 Infinity
17808
750 pt -16.96416 -12.01990 18.29344 Infinity 0.537024 Infinity
17809
751 pt -13.40370 -15.47948 10.67092 -Infinity 0.619869 -Infinity
17810
752 pt -13.53831 -13.67008 11.19914 Infinity 0.644373 Infinity
17811
753 pt -12.62792 -15.57851 8.95062 Infinity 0.646101 Infinity
17812
754 pt -9.03126 -8.80729 21.17834 -Infinity 0.595739 -Infinity
17813
755 pt -8.72983 -7.03533 21.76174 Infinity 0.603940 Infinity
17814
756 pt -7.41888 -9.78766 21.27921 Infinity 0.593598 Infinity
17815
757 pt -10.10062 -18.37840 13.55774 -Infinity 0.569886 -Infinity
17816
758 pt -11.10067 -17.13022 12.55126 Infinity 0.593678 Infinity
17817
759 pt -9.06126 -19.44149 12.39127 Infinity 0.571165 Infinity
17818
760 pt -7.73996 -19.83490 18.06084 -Infinity 0.514397 -Infinity
17819
761 pt -8.67689 -21.45781 18.30452 Infinity 0.489164 Infinity
17820
762 pt -8.39471 -18.95314 16.52302 Infinity 0.539323 Infinity
17821
763 pt -18.52993 -9.50266 12.70859 -Infinity 0.612085 -Infinity
17822
764 pt -16.76598 -9.99740 12.24515 Infinity 0.640638 Infinity
17823
765 pt -18.70053 -7.62251 12.62490 Infinity 0.631769 Infinity
17824
766 pt -12.62201 -21.03710 7.79151 -Infinity 0.555097 -Infinity
17825
767 pt -11.96667 -19.32979 7.31541 Infinity 0.593847 Infinity
17826
768 pt -14.49803 -21.07770 7.56797 Infinity 0.540142 Infinity
17827
769 pt -13.47262 -10.58724 12.60296 -Infinity 0.679601 -Infinity
17828
770 pt -12.33101 -9.39950 11.67717 Infinity 0.738550 Infinity
17829
771 pt -12.78422 -10.90333 14.33421 Infinity 0.655013 Infinity
17830
772 pt -13.66249 -21.06408 16.07793 -Infinity 0.488189 -Infinity
17831
773 pt -12.58927 -22.13040 17.21029 Infinity 0.473620 Infinity
17832
774 pt -12.56383 -19.87414 15.10425 Infinity 0.517253 Infinity
17833
775 pt -11.49719 -11.71175 17.27747 -Infinity 0.608770 -Infinity
17834
776 pt -11.11699 -10.47760 18.65711 Infinity 0.605172 Infinity
17835
777 pt -9.88753 -12.49065 16.66641 Infinity 0.622466 Infinity
17836
778 pt 1.81062 -6.67088 19.22982 -Infinity 0.698651 -Infinity
17837
779 pt 1.31046 -7.67124 20.75304 Infinity 0.648847 Infinity
17838
780 pt 1.02904 -7.43526 17.68842 Infinity 0.732246 Infinity
17839
781 pt 7.20434 -8.05429 13.79591 -Infinity 0.782220 -Infinity
17840
782 pt 6.62344 -6.57519 14.81860 Infinity 0.791359 Infinity
17841
783 pt 5.73906 -8.78191 12.85009 Infinity 0.812098 Infinity
17842
784 pt 7.76601 -14.70599 13.02332 -Infinity 0.650644 -Infinity
17843
785 pt 6.99487 -13.08572 13.61589 Infinity 0.680544 Infinity
17844
786 pt 6.55055 -15.60598 11.89030 Infinity 0.659194 Infinity
17845
787 pt 0.62301 -19.93930 12.48493 -Infinity 0.587881 -Infinity
17846
788 pt -0.84936 -18.80563 12.82841 Infinity 0.606222 Infinity
17847
789 pt 0.04429 -21.44389 11.49884 Infinity 0.570328 Infinity
17848
790 pt -6.70181 -12.71457 15.81550 -Infinity 0.658956 -Infinity
17849
791 pt -6.56356 -10.89039 15.34191 Infinity 0.704448 Infinity
17850
792 pt -5.33478 -13.15273 17.04445 Infinity 0.636258 Infinity
17851
793 pt 4.18348 -17.03332 10.04953 -Infinity 0.668045 -Infinity
17852
794 pt 3.04779 -18.20176 11.00662 Infinity 0.634514 Infinity
17853
795 pt 3.15165 -15.97281 8.87407 Infinity 0.717376 Infinity
17854
796 pt -6.54501 -7.68307 14.28457 -Infinity 0.800704 -Infinity
17855
797 pt -5.80649 -8.26282 12.64459 Infinity 0.847134 Infinity
17856
798 pt -5.50128 -6.27068 14.98231 Infinity 0.820627 Infinity
17857
799 pt 1.50513 -20.28183 17.58943 -Infinity 0.526271 -Infinity
17858
800 pt -0.12634 -21.20715 17.82003 Infinity 0.512708 Infinity
17859
801 pt 1.78201 -19.93945 15.75172 Infinity 0.550703 Infinity
17860
802 pt 3.08731 -9.67059 11.44631 -Infinity 0.858266 -Infinity
17861
803 pt 2.31973 -10.08094 9.76896 Infinity 0.902332 Infinity
17862
804 pt 1.76467 -8.94631 12.58521 Infinity 0.854467 Infinity
17863
805 pt -3.70744 -16.64423 13.77095 -Infinity 0.631991 -Infinity
17864
806 pt -5.19637 -15.55739 14.18679 Infinity 0.641534 Infinity
17865
807 pt -3.57428 -16.84157 11.89628 Infinity 0.655384 Infinity
17866
808 pt -3.06808 -17.24967 8.86368 -Infinity 0.688115 -Infinity
17867
809 pt -1.70213 -16.29013 7.97793 Infinity 0.730351 Infinity
17868
810 pt -3.78968 -18.54572 7.69295 Infinity 0.665187 Infinity
17869
811 pt -0.63309 -7.83311 14.61176 -Infinity 0.823175 -Infinity
17870
812 pt -1.75239 -8.84533 13.47438 Infinity 0.833069 Infinity
17871
813 pt -1.42397 -6.14833 14.93898 Infinity 0.851410 Infinity
17872
814 pt -2.77863 -14.83547 18.63298 -Infinity 0.590524 -Infinity
17873
815 pt -2.74440 -15.72082 16.96384 Infinity 0.602856 Infinity
17874
816 pt -1.77460 -15.82402 19.89225 Infinity 0.558942 Infinity
17875
817 pt 5.72333 -20.72126 20.64064 -Infinity 0.481535 -Infinity
17876
818 pt 5.11330 -22.10289 21.77644 Infinity 0.458742 Infinity
17877
819 pt 4.47252 -20.44876 19.25057 Infinity 0.501408 Infinity
17878
820 pt -3.87574 -9.25134 10.15268 -Infinity 0.919678 -Infinity
17879
821 pt -3.37922 -10.70205 9.04815 Infinity 0.900739 Infinity
17880
822 pt -4.33162 -7.76626 9.07670 Infinity 1.018610 Infinity
17881
823 pt 10.34836 -9.49958 17.59387 -Infinity 0.632413 -Infinity
17882
824 pt 9.30095 -9.02092 16.09559 Infinity 0.680768 Infinity
17883
825 pt 9.22202 -10.11823 18.97941 Infinity 0.610391 Infinity
17884
826 pt 15.16747 -9.43813 12.28267 -Infinity 0.655160 -Infinity
17885
827 pt 14.65660 -7.93999 13.31498 Infinity 0.668833 Infinity
17886
828 pt 16.83832 -10.08107 12.88759 Infinity 0.611165 Infinity
17887
829 pt 13.85189 -13.16259 17.73509 -Infinity 0.550899 -Infinity
17888
830 pt 13.83043 -14.08909 16.08821 Infinity 0.560218 Infinity
17889
831 pt 12.48819 -11.85441 17.74089 Infinity 0.578808 Infinity
17890
832 pt 19.65288 -11.14103 14.31439 -Infinity 0.544623 -Infinity
17891
833 pt 19.20178 -10.54847 16.05118 Infinity 0.538029 Infinity
17892
834 pt 21.35988 -10.47962 13.84560 Infinity 0.532896 Infinity
17893
835 pt 13.63110 -19.83528 8.24225 -Infinity 0.552313 -Infinity
17894
836 pt 14.68378 -18.57292 9.17465 Infinity 0.555134 Infinity
17895
837 pt 11.82780 -19.27035 8.23458 Infinity 0.578473 Infinity
17896
838 pt 12.96201 -14.11221 12.55141 -Infinity 0.611980 -Infinity
17897
839 pt 11.07578 -14.21067 12.49220 Infinity 0.633398 Infinity
17898
840 pt 13.51032 -12.32832 12.25446 Infinity 0.637216 Infinity
17899
841 pt 20.72503 -13.85279 9.48197 -Infinity 0.542518 -Infinity
17900
842 pt 20.72057 -12.68174 10.96510 Infinity 0.544511 Infinity
17901
843 pt 21.86269 -13.16541 8.13873 Infinity 0.542683 Infinity
17902
844 pt 13.58065 -7.55220 7.80552 -Infinity 0.796209 -Infinity
17903
845 pt 11.96335 -6.70454 8.29220 Infinity 0.853479 Infinity
17904
846 pt 14.27591 -8.48667 9.29362 Infinity 0.734629 Infinity
17905
847 pt 17.00850 -9.18745 18.65706 -Infinity 0.544987 -Infinity
17906
848 pt 16.09019 -10.81680 18.38690 Infinity 0.544181 Infinity
17907
849 pt 16.13605 -8.18696 20.00203 Infinity 0.544865 Infinity
17908
850 pt 10.69448 -18.87819 14.87488 -Infinity 0.536951 -Infinity
17909
851 pt 12.18822 -18.69705 13.73164 Infinity 0.539210 Infinity
17910
852 pt 9.42892 -17.53227 14.47750 Infinity 0.569328 Infinity
17911
853 pt 8.54037 -18.70956 7.59687 -Infinity 0.623915 -Infinity
17912
854 pt 8.14828 -20.18496 6.48308 Infinity 0.604452 Infinity
17913
855 pt 7.01130 -18.26233 8.61324 Infinity 0.636959 Infinity
17914
856 pt 16.92278 -16.89997 10.87388 -Infinity 0.542461 -Infinity
17915
857 pt 18.33712 -15.85174 10.18690 Infinity 0.544518 Infinity
17916
858 pt 15.60622 -15.77010 11.62298 Infinity 0.566017 Infinity
17917
859 pt -14.35788 1.01060 18.28953 -Infinity 0.668881 -Infinity
17918
860 pt -12.58031 0.63086 18.80636 Infinity 0.682946 Infinity
17919
861 pt -15.21831 -0.58863 17.76687 Infinity 0.660226 Infinity
17920
862 pt -10.71732 -4.55712 15.61761 -Infinity 0.755745 -Infinity
17921
863 pt -9.38836 -5.84332 15.22948 Infinity 0.768992 Infinity
17922
864 pt -10.05018 -3.32276 16.88344 Infinity 0.745499 Infinity
17923
865 pt -18.95550 4.15384 8.42968 -Infinity 0.773326 -Infinity
17924
866 pt -17.93014 2.58159 8.64815 Infinity 0.803886 Infinity
17925
867 pt -19.87398 4.08392 6.77966 Infinity 0.768228 Infinity
17926
868 pt -7.52670 5.20021 16.38180 -Infinity 0.846985 -Infinity
17927
869 pt -8.84969 6.54780 16.45102 Infinity 0.814790 Infinity
17928
870 pt -7.22663 4.52078 18.11944 Infinity 0.785658 Infinity
17929
871 pt -19.46899 -4.41127 13.56380 -Infinity 0.635018 -Infinity
17930
872 pt -17.87504 -3.87704 14.42692 Infinity 0.655895 Infinity
17931
873 pt -20.75024 -4.91302 14.85907 Infinity 0.591009 Infinity
17932
874 pt -15.63460 -3.93400 17.04004 -Infinity 0.646919 -Infinity
17933
875 pt -16.14148 -4.92801 18.56519 Infinity 0.604366 Infinity
17934
876 pt -13.86076 -4.37499 16.56039 Infinity 0.681531 Infinity
17935
877 pt -15.93708 -0.20604 8.36100 -Infinity 0.869653 -Infinity
17936
878 pt -14.57889 -0.79265 9.53670 Infinity 0.884567 Infinity
17937
879 pt -17.17813 -1.60378 8.08315 Infinity 0.815004 Infinity
17938
880 pt -14.77928 5.29642 15.34941 -Infinity 0.734050 -Infinity
17939
881 pt -14.78921 3.83309 16.54508 Infinity 0.706282 Infinity
17940
882 pt -13.89403 4.80218 13.75469 Infinity 0.800687 Infinity
17941
883 pt -19.13112 -4.29165 8.40806 -Infinity 0.718962 -Infinity
17942
884 pt -20.80993 -4.58444 7.59140 Infinity 0.682124 Infinity
17943
885 pt -19.34242 -4.24398 10.28533 Infinity 0.687407 Infinity
17944
886 pt -12.00021 -1.54854 11.49486 -Infinity 0.901964 -Infinity
17945
887 pt -10.32772 -1.52533 10.61549 Infinity 0.996679 Infinity
17946
888 pt -11.89258 -2.65038 13.02634 Infinity 0.836547 Infinity
17947
889 pt -9.44113 -1.08731 19.32084 -Infinity 0.703446 -Infinity
17948
890 pt -9.11077 -2.31294 20.72076 Infinity 0.662262 Infinity
17949
891 pt -8.28777 0.39907 19.49828 Infinity 0.719925 Infinity
17950
892 pt -18.77412 7.27244 12.60862 -Infinity 0.693389 -Infinity
17951
893 pt -17.42928 6.60547 13.75649 Infinity 0.705963 Infinity
17952
894 pt -18.91657 6.15792 11.08921 Infinity 0.721976 Infinity
17953
895 pt -12.53798 3.70249 11.02414 -Infinity 0.940065 -Infinity
17954
896 pt -12.15385 1.91861 11.51534 Infinity 0.930899 Infinity
17955
897 pt -13.21793 3.73907 9.26136 Infinity 0.979997 Infinity
17956
898 pt 5.45115 -4.11503 16.61275 -Infinity 0.790724 -Infinity
17957
899 pt 4.26702 -4.96270 17.81707 Infinity 0.750468 Infinity
17958
900 pt 4.50981 -2.82030 15.60846 Infinity 0.859938 Infinity
17959
901 pt 0.10409 2.35483 19.91382 -Infinity 0.759710 -Infinity
17960
902 pt -0.78443 3.53731 21.08997 Infinity 0.721039 Infinity
17961
903 pt -0.44436 0.58158 20.26854 Infinity 0.741421 Infinity
17962
904 pt -7.25769 -1.01792 9.68711 -Infinity 1.186670 -Infinity
17963
905 pt -7.36192 0.34402 8.38123 Infinity 1.324450 Infinity
17964
906 pt -6.38326 -0.35238 11.22447 Infinity 1.128378 Infinity
17965
907 pt -3.60303 -3.69805 15.84666 -Infinity 0.855667 -Infinity
17966
908 pt -4.30929 -2.14053 15.04268 Infinity 0.912388 Infinity
17967
909 pt -2.90856 -3.26892 17.55095 Infinity 0.799482 Infinity
17968
910 pt -5.16822 0.93584 13.95799 -Infinity 1.001761 -Infinity
17969
911 pt -6.27962 2.26872 14.70584 Infinity 0.948881 Infinity
17970
912 pt -3.36800 1.50709 14.02089 Infinity 1.030359 Infinity
17971
913 pt -5.45419 -5.22758 7.37469 -Infinity 1.216471 -Infinity
17972
914 pt -6.16251 -3.72513 8.27580 Infinity 1.219497 Infinity
17973
915 pt -4.07589 -4.67141 6.20762 Infinity 1.383438 Infinity
17974
916 pt -1.29326 -2.63744 20.40034 -Infinity 0.714374 -Infinity
17975
917 pt 0.00075 -3.99019 20.14215 Infinity 0.709109 Infinity
17976
918 pt -2.05263 -2.81105 22.12205 Infinity 0.662980 Infinity
17977
919 pt 3.32394 6.59266 15.37576 -Infinity 0.931089 -Infinity
17978
920 pt 2.22604 7.99704 16.00295 Infinity 0.895062 Infinity
17979
921 pt 2.28477 5.02981 15.15511 Infinity 0.965930 Infinity
17980
922 pt 3.11322 -0.68140 13.59847 -Infinity 1.015894 -Infinity
17981
923 pt 1.91026 0.64293 14.20683 Infinity 1.013264 Infinity
17982
924 pt 2.53741 -1.33427 11.92119 Infinity 1.120657 Infinity
17983
925 pt 1.77229 -1.95877 8.96306 -Infinity 1.360920 -Infinity
17984
926 pt 2.51962 -3.14045 7.69176 Infinity 1.387394 Infinity
17985
927 pt 1.02324 -0.46825 8.07516 Infinity 1.569823 Infinity
17986
928 pt -5.02902 6.57723 8.59095 -Infinity 1.439460 -Infinity
17987
929 pt -5.85160 4.98088 8.00265 Infinity 1.504365 Infinity
17988
930 pt -5.90138 8.06107 7.81103 Infinity 1.409860 Infinity
17989
931 pt 5.15097 3.62175 19.56523 -Infinity 0.746637 -Infinity
17990
932 pt 3.39601 2.93911 19.72395 Infinity 0.754681 Infinity
17991
933 pt 5.16425 5.04530 18.32250 Infinity 0.788636 Infinity
17992
934 pt -0.39771 3.00873 14.94090 -Infinity 0.996177 -Infinity
17993
935 pt -1.45900 4.50417 14.48441 Infinity 1.022438 Infinity
17994
936 pt -0.36954 2.80484 16.81938 Infinity 0.891721 Infinity
17995
937 pt -6.64425 3.06740 20.98054 -Infinity 0.698460 -Infinity
17996
938 pt -8.05623 3.05400 22.23640 Infinity 0.652722 Infinity
17997
939 pt -5.08996 3.77880 21.78624 Infinity 0.685815 Infinity
17998
940 pt -3.54158 6.82065 13.62283 -Infinity 1.040150 -Infinity
17999
941 pt -4.02154 6.90553 11.79704 Infinity 1.160864 Infinity
18000
942 pt -5.07584 6.45005 14.66196 Infinity 0.960613 Infinity
18001
943 pt 15.28954 2.36985 10.19334 -Infinity 0.822746 -Infinity
18002
944 pt 14.41916 3.27122 11.60792 Infinity 0.816557 Infinity
18003
945 pt 15.82135 0.65151 10.77261 Infinity 0.784260 Infinity
18004
946 pt 13.60356 5.48760 20.47039 -Infinity 0.619181 -Infinity
18005
947 pt 15.05713 4.42864 21.05075 Infinity 0.590800 Infinity
18006
948 pt 14.20978 6.75061 19.20218 Infinity 0.633289 Infinity
18007
949 pt 17.83245 -4.42490 7.54906 -Infinity 0.732950 -Infinity
18008
950 pt 17.61320 -3.43548 9.14407 Infinity 0.727631 Infinity
18009
951 pt 16.41985 -5.66853 7.37881 Infinity 0.757968 Infinity
18010
952 pt 20.63972 -5.69244 17.81690 -Infinity 0.535625 -Infinity
18011
953 pt 22.06785 -6.15055 18.96654 Infinity 0.503868 Infinity
18012
954 pt 19.21926 -6.91544 18.05699 Infinity 0.543152 Infinity
18013
955 pt 9.03176 -5.69477 9.46747 -Infinity 0.938902 -Infinity
18014
956 pt 8.50798 -6.82408 10.88921 Infinity 0.874101 Infinity
18015
957 pt 8.73232 -3.89243 9.95015 Infinity 0.983516 Infinity
18016
958 pt 8.08022 -1.06663 11.74698 -Infinity 0.990137 -Infinity
18017
959 pt 9.12326 -1.17998 13.31870 Infinity 0.888874 Infinity
18018
960 pt 6.27345 -0.76191 12.20938 Infinity 1.026958 Infinity
18019
961 pt 7.59027 6.14260 8.18668 -Infinity 1.275190 -Infinity
18020
962 pt 5.89005 6.69736 8.79706 Infinity 1.315311 Infinity
18021
963 pt 8.92505 6.80632 9.34810 Infinity 1.110642 Infinity
18022
964 pt 16.80376 -2.32912 12.31045 -Infinity 0.704930 -Infinity
18023
965 pt 15.60889 -3.45022 13.25197 Infinity 0.704284 Infinity
18024
966 pt 18.35500 -2.04461 13.35150 Infinity 0.654871 Infinity
18025
967 pt 10.05784 -1.84145 16.49902 -Infinity 0.753007 -Infinity
18026
968 pt 10.18836 -0.51534 17.83896 Infinity 0.722521 Infinity
18027
969 pt 8.44495 -2.80179 16.71673 Infinity 0.763473 Infinity
18028
970 pt 9.02814 1.27670 7.27226 -Infinity 1.240826 -Infinity
18029
971 pt 8.88815 0.32546 8.89909 Infinity 1.133700 Infinity
18030
972 pt 8.66400 3.10572 7.57748 Infinity 1.268475 Infinity
18031
973 pt 10.01207 1.83638 20.06946 -Infinity 0.674879 -Infinity
18032
974 pt 8.23302 2.46527 19.96683 Infinity 0.700543 Infinity
18033
975 pt 11.18351 3.29650 20.32801 Infinity 0.655419 Infinity
18034
976 pt 13.02417 4.68103 14.39936 -Infinity 0.776940 -Infinity
18035
977 pt 14.17956 5.93934 15.20731 Infinity 0.725343 Infinity
18036
978 pt 12.54695 3.35995 15.66351 Infinity 0.753138 Infinity
18037
979 pt 20.48377 -0.73546 19.46276 -Infinity 0.538582 -Infinity
18038
980 pt 21.58447 -0.96895 20.98099 Infinity 0.506770 Infinity
18039
981 pt 20.28909 -2.38668 18.56463 Infinity 0.547022 Infinity
18040
982 pt 13.50885 -5.46811 15.27662 -Infinity 0.683590 -Infinity
18041
983 pt 13.04466 -6.89550 16.42472 Infinity 0.652110 Infinity
18042
984 pt 12.36489 -3.99947 15.60149 Infinity 0.713295 Infinity
18043
985 pt -8.55976 13.14481 11.60943 -Infinity 0.897717 -Infinity
18044
986 pt -9.33514 11.43106 11.42804 Infinity 0.929803 Infinity
18045
987 pt -8.19325 13.85593 9.89740 Infinity 0.946737 Infinity
18046
988 pt -10.43539 18.37426 18.47158 -Infinity 0.604940 -Infinity
18047
989 pt -10.09193 17.95508 20.28193 Infinity 0.582429 Infinity
18048
990 pt -10.76313 16.78285 17.50666 Infinity 0.640095 Infinity
18049
991 pt -11.44291 8.86346 17.26625 -Infinity 0.727556 -Infinity
18050
992 pt -12.84566 7.74341 16.67562 Infinity 0.727256 Infinity
18051
993 pt -11.11900 8.55420 19.10214 Infinity 0.685829 Infinity
18052
994 pt -11.82220 13.92481 15.61234 -Infinity 0.706151 -Infinity
18053
995 pt -11.79541 12.21857 16.42420 Infinity 0.709827 Infinity
18054
996 pt -10.65671 13.93414 14.12487 Infinity 0.761616 Infinity
18055
997 pt -17.72013 14.22438 6.78913 -Infinity 0.737983 -Infinity
18056
998 pt -19.25306 13.23262 6.30168 Infinity 0.717571 Infinity
18057
999 pt -17.17029 13.72298 8.52618 Infinity 0.736886 Infinity
18058
1000 pt -16.78844 12.13271 11.60132 -Infinity 0.717213 -Infinity
18059
1001 pt -17.48318 10.39532 11.86564 Infinity 0.715157 Infinity
18060
1002 pt -14.97921 12.17825 12.14508 Infinity 0.748218 Infinity
18061
1003 pt -11.12398 8.79056 10.23758 -Infinity 0.978522 -Infinity
18062
1004 pt -11.71677 8.82632 8.44359 Infinity 1.026301 Infinity
18063
1005 pt -11.29040 7.03710 10.92223 Infinity 0.971130 Infinity
18064
1006 pt -21.45679 14.31271 12.50288 -Infinity 0.589546 -Infinity
18065
1007 pt -21.54154 15.99519 13.35913 Infinity 0.564566 Infinity
18066
1008 pt -19.64984 13.79729 12.30202 Infinity 0.628456 Infinity
18067
1009 pt -16.10633 17.16415 16.42899 -Infinity 0.590762 -Infinity
18068
1010 pt -14.88177 15.81375 15.93106 Infinity 0.630033 Infinity
18069
1011 pt -15.33966 18.86107 16.10689 Infinity 0.584956 Infinity
18070
1012 pt -7.99355 20.83351 10.28599 -Infinity 0.727876 -Infinity
18071
1013 pt -9.74673 20.75069 9.58558 Infinity 0.719797 Infinity
18072
1014 pt -6.77769 21.23807 8.89708 Infinity 0.753377 Infinity
18073
1015 pt -0.48096 9.94792 16.49141 -Infinity 0.855192 -Infinity
18074
1016 pt -1.63715 8.87621 15.44943 Infinity 0.918672 Infinity
18075
1017 pt -1.23474 11.66782 16.70313 Infinity 0.817724 Infinity
18076
1018 pt 3.68073 8.66125 10.59626 -Infinity 1.192498 -Infinity
18077
1019 pt 3.34555 7.55119 12.08840 Infinity 1.118632 Infinity
18078
1020 pt 4.73090 10.13819 11.13185 Infinity 1.079515 Infinity
18079
1021 pt -1.30133 18.55492 10.05201 -Infinity 0.856111 -Infinity
18080
1022 pt -1.82918 17.95007 8.34128 Infinity 0.927468 Infinity
18081
1023 pt -2.56977 17.99795 11.33727 Infinity 0.835327 Infinity
18082
1024 pt -2.85348 14.51689 16.98705 -Infinity 0.752513 -Infinity
18083
1025 pt -3.94519 15.24942 15.62962 Infinity 0.773619 Infinity
18084
1026 pt -3.85796 14.34022 18.57792 Infinity 0.705801 Infinity
18085
1027 pt -3.24105 20.38192 17.67302 -Infinity 0.631629 -Infinity
18086
1028 pt -3.66431 19.21288 16.24991 Infinity 0.679155 Infinity
18087
1029 pt -4.67239 21.58459 17.94859 Infinity 0.603141 Infinity
18088
1030 pt -5.50452 17.17532 13.19699 -Infinity 0.786218 -Infinity
18089
1031 pt -6.44575 15.59294 12.77130 Infinity 0.829610 Infinity
18090
1032 pt -6.37051 18.65681 12.40559 Infinity 0.759346 Infinity
18091
1033 pt -0.02940 6.98843 7.01504 -Infinity 1.806942 -Infinity
18092
1034 pt 1.14891 7.71725 8.30014 Infinity 1.535252 Infinity
18093
1035 pt -1.77530 6.90800 7.73368 Infinity 1.672653 Infinity
18094
1036 pt 6.77363 11.90334 13.32147 -Infinity 0.881332 -Infinity
18095
1037 pt 5.80172 11.93368 14.94182 Infinity 0.835852 Infinity
18096
1038 pt 7.65523 13.55778 13.08344 Infinity 0.835821 Infinity
18097
1039 pt 5.41853 14.45453 19.72900 -Infinity 0.660614 -Infinity
18098
1040 pt 4.29088 15.23998 18.43187 Infinity 0.688586 Infinity
18099
1041 pt 7.21714 14.89356 19.35044 Infinity 0.650428 Infinity
18100
1042 pt 2.49850 10.30865 20.89700 -Infinity 0.689872 -Infinity
18101
1043 pt 3.64088 11.79062 20.63277 Infinity 0.678215 Infinity
18102
1044 pt 1.29428 10.17384 19.44691 Infinity 0.739030 Infinity
18103
1045 pt 2.09371 16.12600 16.25693 -Infinity 0.741944 -Infinity
18104
1046 pt 2.10748 16.98538 14.57398 Infinity 0.769940 Infinity
18105
1047 pt 0.33338 15.57742 16.67088 Infinity 0.745854 Infinity
18106
1048 pt 14.28633 10.91695 9.52734 -Infinity 0.816614 -Infinity
18107
1049 pt 13.02180 9.86394 10.45642 Infinity 0.849690 Infinity
18108
1050 pt 16.02887 10.46101 10.09893 Infinity 0.758864 Infinity
18109
1051 pt 14.29889 13.47433 16.69262 -Infinity 0.636235 -Infinity
18110
1052 pt 15.92982 13.60115 17.63867 Infinity 0.596106 Infinity
18111
1053 pt 14.47159 14.33509 15.01920 Infinity 0.654063 Infinity
18112
1054 pt 17.03841 19.26056 9.68544 -Infinity 0.619081 -Infinity
18113
1055 pt 18.47325 20.07919 10.60312 Infinity 0.577601 Infinity
18114
1056 pt 15.79856 20.58105 9.14678 Infinity 0.623827 Infinity
18115
1057 pt 9.26621 16.36007 13.02087 -Infinity 0.748423 -Infinity
18116
1058 pt 11.08685 16.06847 12.60696 Infinity 0.732721 Infinity
18117
1059 pt 8.92705 18.21738 13.10116 Infinity 0.712910 Infinity
18118
1060 pt 10.65504 21.05002 19.19417 -Infinity 0.551954 -Infinity
18119
1061 pt 10.86232 21.99385 17.57020 Infinity 0.560290 Infinity
18120
1062 pt 8.92991 21.37181 19.89520 Infinity 0.550364 Infinity
18121
1063 pt 15.69520 8.39275 16.71257 -Infinity 0.652061 -Infinity
18122
1064 pt 17.58460 8.39919 16.74756 Infinity 0.618987 Infinity
18123
1065 pt 15.05866 10.17176 16.68110 Infinity 0.652723 Infinity
18124
1066 pt 19.27244 9.98683 10.68193 -Infinity 0.670428 -Infinity
18125
1067 pt 19.84426 11.65582 11.35911 Infinity 0.635954 Infinity
18126
1068 pt 20.29169 8.60385 11.46906 Infinity 0.645434 Infinity
18127
1069 pt 14.24259 15.54852 11.91663 -Infinity 0.695979 -Infinity
18128
1070 pt 14.42128 13.96237 10.90507 Infinity 0.735675 Infinity
18129
1071 pt 15.37541 16.88251 11.20371 Infinity 0.665106 Infinity
18130
1072 pt 18.29873 13.25479 20.01464 -Infinity 0.535760 -Infinity
18131
1073 pt 18.56623 15.10155 20.31293 Infinity 0.518103 Infinity
18132
1074 pt 19.95323 12.34986 20.13631 Infinity 0.520384 Infinity
18133
1075 pt 20.88558 8.61600 16.89172 -Infinity 0.563660 -Infinity
18134
1076 pt 21.94355 7.99195 15.45563 Infinity 0.566875 Infinity
18135
1077 pt 21.96532 9.60164 18.08911 Infinity 0.530834 Infinity
18136
1078 pt 10.59272 15.77113 19.59746 -Infinity 0.605106 -Infinity
18137
1079 pt 10.73962 17.64401 19.39297 Infinity 0.586955 Infinity
18138
1080 pt 11.68371 14.90919 18.31767 Infinity 0.626178 Infinity
18139
1081 pt 10.49782 8.34353 11.76116 -Infinity 0.911390 -Infinity
18140
1082 pt 11.20179 7.01541 12.90640 Infinity 0.862301 Infinity
18141
1083 pt 9.29399 9.43500 12.72581 Infinity 0.893577 Infinity
18147
1 a.u. = 0.171524 10**(-8) dyn/esu
18149
Atom X Y Z Electric field (a.u.)
18151
------------------------------------------------------------------------------------------------
18152
@ 6 -121.71375307 8.0E+01 0.00026 0.02630 0.00017
18153
Total number of active Bq charges 1083
18154
frozen_density,esp T T
18155
disabling frozen_density,esp due to active qm atoms
18161
ao basis = "ao basis"
18168
input vectors = /home/d3p975/codes/nwchem-svn/nwchem/QA/tests/tce_qmmm_ccsd_opt/perm/fmd.movecs
18169
output vectors = /home/d3p975/codes/nwchem-svn/nwchem/QA/tests/tce_qmmm_ccsd_opt/perm/fmd.movecs
18174
Summary of "ao basis" -> "ao basis" (cartesian)
18175
------------------------------------------------------------------------------
18176
Tag Description Shells Functions and Types
18177
---------------- ------------------------------ ------ ---------------------
18178
O cc-pVDZ 6 15 3s2p1d
18179
C cc-pVDZ 6 15 3s2p1d
18184
The SCF is already converged
18186
Total SCF energy = -113.914830019799
18188
NWChem Extensible Many-Electron Theory Module
18189
---------------------------------------------
18191
======================================================
18192
This portion of the program was automatically
18193
generated by a Tensor Contraction Engine (TCE).
18194
The development of this portion of the program
18195
and TCE was supported by US Department of Energy,
18196
Office of Science, Office of Basic Energy Science.
18197
TCE is a product of Battelle and PNNL.
18198
Please cite: S.Hirata, J.Phys.Chem.A 107, 9887 (2003).
18199
======================================================
18201
General Information
18202
-------------------
18203
Number of processors : 27
18204
Wavefunction type : Restricted Hartree-Fock
18205
No. of electrons : 16
18206
Alpha electrons : 8
18208
No. of orbitals : 80
18209
Alpha orbitals : 40
18211
Alpha frozen cores : 0
18212
Beta frozen cores : 0
18213
Alpha frozen virtuals : 0
18214
Beta frozen virtuals : 0
18215
Spin multiplicity : singlet
18216
Number of AO functions : 40
18217
Number of AO shells : 18
18218
Use of symmetry is : off
18219
Symmetry adaption is : off
18220
Schwarz screening : 0.00E+00
18222
Correlation Information
18223
-----------------------
18224
Calculation type : Coupled-cluster singles & doubles
18225
Perturbative correction : none
18226
Max iterations : 200
18227
Residual threshold : 0.10E-05
18228
T(0) DIIS level shift : 0.00E+00
18229
L(0) DIIS level shift : 0.00E+00
18230
T(1) DIIS level shift : 0.00E+00
18231
L(1) DIIS level shift : 0.00E+00
18232
T(R) DIIS level shift : 0.00E+00
18233
T(I) DIIS level shift : 0.00E+00
18234
CC-T/L Amplitude update : 5-th order DIIS
18235
I/O scheme : Global Array Library
18239
Available GA space size is 2654059007 doubles
18240
Available MA space size is 49130121 doubles
18242
Maximum block size supplied by input
18243
Maximum block size 12 doubles
18247
Block Spin Irrep Size Offset Alpha
18248
-------------------------------------------------
18249
1 alpha a 8 doubles 0 1
18250
2 beta a 8 doubles 8 1
18251
3 alpha a 10 doubles 16 3
18252
4 alpha a 11 doubles 26 4
18253
5 alpha a 11 doubles 37 5
18254
6 beta a 10 doubles 48 3
18255
7 beta a 11 doubles 58 4
18256
8 beta a 11 doubles 69 5
18258
Global array virtual files algorithm will be used
18260
Parallel file system coherency ......... OK
18262
#quartets = 1.471E+04 #integrals = 3.754E+05 #direct = 0.0% #cached =100.0%
18265
Integral file = /scratch/fmd.aoints.00
18266
Record size in doubles = 65536 No. of integs per rec = 43688
18267
Max. records in memory = 2 Max. records in file = 225827
18268
No. of bits per label = 8 No. of bits per value = 64
18271
File balance: exchanges= 0 moved= 0 time= 0.0
18274
Fock matrix recomputed
18275
1-e file size = 1600
18276
1-e file name = /scratch/fmd.f1
18277
Cpu & wall time / sec 0.1 0.2
18280
half-transformed integrals in memory
18282
2-e (intermediate) file size = 5769600
18283
2-e (intermediate) file name = /scratch/fmd.v2i
18284
Cpu & wall time / sec 0.1 0.1
18287
2-e integrals stored in memory
18289
2-e file size = 3566009
18290
2-e file name = /scratch/fmd.v2
18291
Cpu & wall time / sec 0.1 0.1
18292
T1-number-of-tasks 3
18295
t1 file name = /scratch/fmd.t1
18296
t1 file handle = -992
18297
T2-number-of-boxes 15
18299
t2 file size = 109248
18300
t2 file name = /scratch/fmd.t2
18301
t2 file handle = -989
18304
-----------------------------------------------------------------
18305
Iter Residuum Correlation Cpu Wall V2*C2
18306
-----------------------------------------------------------------
18307
1 0.1509784466620 -0.3224055276857 0.2 0.2 0.0
18308
2 0.0413627676442 -0.3291666750636 0.2 0.2 0.0
18309
3 0.0156197506798 -0.3360760801698 0.2 0.2 0.0
18310
4 0.0074692709640 -0.3371805810931 0.2 0.2 0.0
18311
5 0.0036669113867 -0.3379177659039 0.2 0.2 0.0
18312
MICROCYCLE DIIS UPDATE: 5 5
18313
6 0.0011717560573 -0.3383051687362 0.2 0.2 0.0
18314
7 0.0005811430175 -0.3383805094872 0.2 0.2 0.0
18315
8 0.0003055126055 -0.3383915757221 0.2 0.2 0.0
18316
9 0.0001829670183 -0.3383935558535 0.2 0.2 0.0
18317
10 0.0001066758465 -0.3383996773140 0.2 0.2 0.0
18318
MICROCYCLE DIIS UPDATE: 10 5
18319
11 0.0000185966000 -0.3384052425344 0.2 0.2 0.0
18320
12 0.0000101238921 -0.3384062093355 0.2 0.2 0.0
18321
13 0.0000073562609 -0.3384066034377 0.2 0.2 0.0
18322
14 0.0000056283467 -0.3384066762800 0.2 0.2 0.0
18323
15 0.0000043656984 -0.3384067053792 0.2 0.2 0.0
18324
MICROCYCLE DIIS UPDATE: 15 5
18325
16 0.0000006398727 -0.3384066518494 0.2 0.2 0.0
18326
-----------------------------------------------------------------
18327
Iterations converged
18328
CCSD correlation energy / hartree = -0.338406651849445
18329
CCSD total energy / hartree = -114.253236671648637
18331
Singles contributions
18333
Doubles contributions
18334
9a (alpha) 9a (beta ) --- 7a (alpha) 7a (beta ) -0.1173166701
18336
Parallel integral file used 27 records with 0 large values
18338
Bq nuclear interaction energy = 0.10318961420235116
18339
@------------------------------------------------------------------------
18341
@------------------------------------------------------------------------
18342
@ quantum energy -114.253236672 (-.299972E+06 kjoule/mol)
18343
@ quantum energy adjusted -114.253236672 (-.299972E+06 kjoule/mol)
18344
@ quantum energy internal -114.356426286 (-.300243E+06 kjoule/mol)
18345
@ Bq-nuclear energy 0.103189614 (0.270924E+03 kjoule/mol)
18346
@ Bq-electron energy 0.000000000 (0.000000E+00 kjoule/mol)
18347
@ classical energy -7.460618730 (-.195879E+05 kjoule/mol)
18348
@ total qmmm energy -121.713855402 (-.319560E+06 kjoule/mol)
18349
@------------------------------------------------------------------------
18354
@ Optimizing qm region with lbfgs
18356
RUNNING THE L-BFGS-B CODE
18360
Machine precision = 2.220E-16
18362
This problem is unconstrained.
18364
At X0 0 variables are exactly at the bounds
18365
Total number of active Bq charges 0
18366
frozen_density,esp T T
18367
disabling frozen_density,esp due to active qm atoms
18373
ao basis = "ao basis"
18380
input vectors = /home/d3p975/codes/nwchem-svn/nwchem/QA/tests/tce_qmmm_ccsd_opt/perm/fmd.movecs
18381
output vectors = /home/d3p975/codes/nwchem-svn/nwchem/QA/tests/tce_qmmm_ccsd_opt/perm/fmd.movecs
18386
Summary of "ao basis" -> "ao basis" (cartesian)
18387
------------------------------------------------------------------------------
18388
Tag Description Shells Functions and Types
18389
---------------- ------------------------------ ------ ---------------------
18390
O cc-pVDZ 6 15 3s2p1d
18391
C cc-pVDZ 6 15 3s2p1d
18396
The SCF is already converged
18398
Total SCF energy = -113.914830019799
18400
NWChem Extensible Many-Electron Theory Module
18401
---------------------------------------------
18403
======================================================
18404
This portion of the program was automatically
18405
generated by a Tensor Contraction Engine (TCE).
18406
The development of this portion of the program
18407
and TCE was supported by US Department of Energy,
18408
Office of Science, Office of Basic Energy Science.
18409
TCE is a product of Battelle and PNNL.
18410
Please cite: S.Hirata, J.Phys.Chem.A 107, 9887 (2003).
18411
======================================================
18413
General Information
18414
-------------------
18415
Number of processors : 27
18416
Wavefunction type : Restricted Hartree-Fock
18417
No. of electrons : 16
18418
Alpha electrons : 8
18420
No. of orbitals : 80
18421
Alpha orbitals : 40
18423
Alpha frozen cores : 0
18424
Beta frozen cores : 0
18425
Alpha frozen virtuals : 0
18426
Beta frozen virtuals : 0
18427
Spin multiplicity : singlet
18428
Number of AO functions : 40
18429
Number of AO shells : 18
18430
Use of symmetry is : off
18431
Symmetry adaption is : off
18432
Schwarz screening : 0.00E+00
18434
Correlation Information
18435
-----------------------
18436
Calculation type : Coupled-cluster singles & doubles
18437
Perturbative correction : none
18438
Max iterations : 200
18439
Residual threshold : 0.10E-05
18440
T(0) DIIS level shift : 0.00E+00
18441
L(0) DIIS level shift : 0.00E+00
18442
T(1) DIIS level shift : 0.00E+00
18443
L(1) DIIS level shift : 0.00E+00
18444
T(R) DIIS level shift : 0.00E+00
18445
T(I) DIIS level shift : 0.00E+00
18446
CC-T/L Amplitude update : 5-th order DIIS
18447
I/O scheme : Global Array Library
18451
Available GA space size is 2654059007 doubles
18452
Available MA space size is 49129373 doubles
18454
Maximum block size supplied by input
18455
Maximum block size 12 doubles
18459
Block Spin Irrep Size Offset Alpha
18460
-------------------------------------------------
18461
1 alpha a 8 doubles 0 1
18462
2 beta a 8 doubles 8 1
18463
3 alpha a 10 doubles 16 3
18464
4 alpha a 11 doubles 26 4
18465
5 alpha a 11 doubles 37 5
18466
6 beta a 10 doubles 48 3
18467
7 beta a 11 doubles 58 4
18468
8 beta a 11 doubles 69 5
18470
Global array virtual files algorithm will be used
18472
Parallel file system coherency ......... OK
18474
#quartets = 1.471E+04 #integrals = 3.754E+05 #direct = 0.0% #cached =100.0%
18477
Integral file = /scratch/fmd.aoints.00
18478
Record size in doubles = 65536 No. of integs per rec = 43688
18479
Max. records in memory = 2 Max. records in file = 225827
18480
No. of bits per label = 8 No. of bits per value = 64
18483
File balance: exchanges= 0 moved= 0 time= 0.0
18486
Fock matrix recomputed
18487
1-e file size = 1600
18488
1-e file name = /scratch/fmd.f1
18489
1-e file handle = -993
18490
Cpu & wall time / sec 0.1 0.2
18492
2-e (intermediate) file size = 5769600
18493
2-e (intermediate) file name = /scratch/fmd.v2i
18494
Cpu & wall time / sec 0.1 0.1
18496
2-e file size = 3566009
18497
2-e file name = /scratch/fmd.v2
18498
2-e file handle = -991
18499
Cpu & wall time / sec 0.1 0.1
18502
t1 file name = /scratch/fmd.t1
18503
t1 file handle = -992
18504
Cpu & wall time / sec 0.0
18505
before tce_guess_t2
18508
t2 file size = 109248
18509
t2 file name = /scratch/fmd.t2
18510
t2 file handle = -989
18511
Cpu & wall time / sec 0.0
18514
-----------------------------------------------------------------
18515
Iter Residuum Correlation Cpu Wall V2*C2
18516
-----------------------------------------------------------------
18517
1 0.1517183070051 -0.3227419620633 0.2 0.2 0.0
18518
2 0.0552900879781 -0.3256145264357 0.2 0.2 0.0
18519
3 0.0173712868161 -0.3360793690122 0.2 0.2 0.0
18520
4 0.0105469759266 -0.3366145627597 0.2 0.2 0.0
18521
5 0.0044749021560 -0.3378488855238 0.2 0.2 0.0
18522
MICROCYCLE DIIS UPDATE: 5 5
18523
6 0.0016781822837 -0.3382752623619 0.2 0.2 0.0
18524
7 0.0007065190999 -0.3383850414413 0.1 0.2 0.0
18525
8 0.0003967923267 -0.3383887830545 0.2 0.2 0.0
18526
9 0.0002213116391 -0.3383931608562 0.2 0.2 0.0
18527
10 0.0001325709858 -0.3383982960647 0.2 0.2 0.0
18528
MICROCYCLE DIIS UPDATE: 10 5
18529
11 0.0000239423359 -0.3384049141120 0.2 0.2 0.0
18530
12 0.0000133979524 -0.3384054701592 0.2 0.2 0.0
18531
13 0.0000091589503 -0.3384064840295 0.2 0.2 0.0
18532
14 0.0000069448858 -0.3384065370671 0.2 0.2 0.0
18533
15 0.0000053393112 -0.3384066588079 0.2 0.2 0.0
18534
MICROCYCLE DIIS UPDATE: 15 5
18535
16 0.0000011671791 -0.3384066503494 0.2 0.2 0.0
18536
17 0.0000005979178 -0.3384067410497 0.2 0.2 0.0
18537
-----------------------------------------------------------------
18538
Iterations converged
18539
CCSD correlation energy / hartree = -0.338406741049667
18540
CCSD total energy / hartree = -114.253236760848864
18542
Singles contributions
18544
Doubles contributions
18545
9a (alpha) 9a (beta ) --- 7a (alpha) 7a (beta ) -0.1173169388
18547
CCSD Lambda iterations
18548
--------------------------------------
18549
Iter Residuum Cpu Wall
18550
--------------------------------------
18551
1 1.6754429306623 0.5 0.6
18552
2 0.0293275206894 0.4 0.6
18553
3 0.0031821257855 0.5 0.6
18554
4 0.0003677097263 0.5 0.6
18555
5 0.0001068855325 0.5 0.6
18556
MICROCYCLE DIIS UPDATE: 5 5
18557
6 0.0000239591797 0.4 0.6
18558
7 0.0000046290335 0.5 0.6
18559
8 0.0000014875356 0.4 0.6
18560
9 0.0000004825334 0.4 0.6
18561
--------------------------------------
18562
Iterations converged
18564
MO Z-VEC iterations
18565
--------------------------------------
18566
Iter Residuum Cpu Wall
18567
--------------------------------------
18568
1 0.0234858786174 0.0 0.0
18569
2 0.0076566803238 0.0 0.0
18570
3 0.0030598912632 0.0 0.0
18571
4 0.0027671098218 0.0 0.0
18572
5 0.0017236359859 0.0 0.0
18573
MICROCYCLE DIIS UPDATE: 5 5
18574
6 0.0003198586715 0.0 0.0
18575
7 0.0001725530597 0.0 0.0
18576
8 0.0000812404343 0.0 0.0
18577
9 0.0000691193095 0.0 0.0
18578
10 0.0000366191129 0.0 0.0
18579
MICROCYCLE DIIS UPDATE: 10 5
18580
11 0.0000046486159 0.0 0.0
18581
12 0.0000023135318 0.0 0.0
18582
13 0.0000011601255 0.0 0.0
18583
14 0.0000009768715 0.0 0.0
18584
--------------------------------------
18585
Iterations converged
18587
NWChem Gradients Module
18588
-----------------------
18592
wavefunction = TCE RHF CCSD
18596
ccsd ENERGY GRADIENTS
18598
atom coordinates gradient
18600
1 O -1.631926 3.087278 -1.028264 0.013526 0.002100 0.002550
18601
2 C 0.438660 4.084601 -1.115163 -0.000853 -0.000204 0.000158
18602
3 H 1.758025 4.021764 0.510061 -0.000132 0.000054 0.000004
18603
4 H 1.095475 5.105569 -2.819702 -0.000850 0.000409 0.000343
18605
----------------------------------------
18606
| Time | 1-e(secs) | 2-e(secs) |
18607
----------------------------------------
18608
| CPU | 0.15 | 0.13 |
18609
----------------------------------------
18610
| WALL | 0.15 | 0.14 |
18611
----------------------------------------
18613
Parallel integral file used 27 records with 0 large values
18615
Bq nuclear interaction energy = 0.10318961420235116
18616
------------------------------------------------------------------------
18618
------------------------------------------------------------------------
18619
quantum energy -114.253236761 (-.299972E+06 kjoule/mol)
18620
quantum energy adjusted -114.253236761 (-.299972E+06 kjoule/mol)
18621
quantum energy internal -114.356426375 (-.300243E+06 kjoule/mol)
18622
Bq-nuclear energy 0.103189614 (0.270924E+03 kjoule/mol)
18623
Bq-electron energy 0.000000000 (0.000000E+00 kjoule/mol)
18624
classical energy -7.460618730 (-.195879E+05 kjoule/mol)
18625
total qmmm energy -121.713855491 (-.319560E+06 kjoule/mol)
18626
------------------------------------------------------------------------
18629
At iterate 0 f= -1.21714E+02 |proj g|= 2.45392E-04
18630
Total number of active Bq charges 0
18631
frozen_density,esp T T
18632
disabling frozen_density,esp due to active qm atoms
18638
ao basis = "ao basis"
18645
input vectors = /home/d3p975/codes/nwchem-svn/nwchem/QA/tests/tce_qmmm_ccsd_opt/perm/fmd.movecs
18646
output vectors = /home/d3p975/codes/nwchem-svn/nwchem/QA/tests/tce_qmmm_ccsd_opt/perm/fmd.movecs
18651
Summary of "ao basis" -> "ao basis" (cartesian)
18652
------------------------------------------------------------------------------
18653
Tag Description Shells Functions and Types
18654
---------------- ------------------------------ ------ ---------------------
18655
O cc-pVDZ 6 15 3s2p1d
18656
C cc-pVDZ 6 15 3s2p1d
18661
Forming initial guess at 689.6s
18664
Loading old vectors from job with title :
18668
Nuclear repulsion energy = 26.476413834190165
18669
Bq nuclear interaction energy = 0.23240592942494215
18671
Starting SCF solution at 689.6s
18675
----------------------------------------------
18676
Quadratically convergent ROHF
18678
Convergence threshold : 1.000E-10
18679
Maximum no. of iterations : 200
18680
Final Fock-matrix accuracy: 0.000E+00
18681
----------------------------------------------
18684
#quartets = 1.471E+04 #integrals = 3.764E+05 #direct = 0.0% #cached =100.0%
18687
Integral file = /scratch/fmd.aoints.00
18688
Record size in doubles = 65536 No. of integs per rec = 43688
18689
Max. records in memory = 2 Max. records in file = 225827
18690
No. of bits per label = 8 No. of bits per value = 64
18693
File balance: exchanges= 0 moved= 0 time= 0.0
18695
Nuclear repulsion energy = 26.476413834190165
18696
Bq nuclear interaction energy = 0.23240592942494215
18698
iter energy gnorm gmax time
18699
----- ------------------- --------- --------- --------
18700
1 -112.9306705496 1.55E+00 4.28E-01 616.2
18701
Nuclear repulsion energy = 26.476413834190165
18702
Bq nuclear interaction energy = 0.23240592942494215
18703
2 -113.0817488784 8.81E-01 4.02E-01 616.3
18704
Nuclear repulsion energy = 26.476413834190165
18705
Bq nuclear interaction energy = 0.23240592942494215
18706
Nuclear repulsion energy = 26.476413834190165
18707
Bq nuclear interaction energy = 0.23240592942494215
18708
3 -113.1259357711 3.98E-01 1.12E-01 616.5
18709
Nuclear repulsion energy = 26.476413834190165
18710
Bq nuclear interaction energy = 0.23240592942494215
18711
4 -113.1349184653 2.43E-01 1.22E-01 616.6
18712
Nuclear repulsion energy = 26.476413834190165
18713
Bq nuclear interaction energy = 0.23240592942494215
18714
Nuclear repulsion energy = 26.476413834190165
18715
Bq nuclear interaction energy = 0.23240592942494215
18716
5 -113.1395371457 2.00E-01 6.33E-02 616.7
18717
Nuclear repulsion energy = 26.476413834190165
18718
Bq nuclear interaction energy = 0.23240592942494215
18719
6 -113.1457357158 4.35E-02 1.88E-02 616.9
18720
Nuclear repulsion energy = 26.476413834190165
18721
Bq nuclear interaction energy = 0.23240592942494215
18722
7 -113.1460639108 1.47E-03 5.91E-04 617.1
18723
Nuclear repulsion energy = 26.476413834190165
18724
Bq nuclear interaction energy = 0.23240592942494215
18725
8 -113.1460650443 7.33E-06 3.91E-06 617.4
18726
ga_iter_lsolve: convergence stagnant ... aborting solve
18727
Nuclear repulsion energy = 26.476413834190165
18728
Bq nuclear interaction energy = 0.23240592942494215
18729
9 -113.1460650444 2.07E-10 8.12E-11 617.9
18730
Nuclear repulsion energy = 26.476413834190165
18731
Bq nuclear interaction energy = 0.23240592942494215
18732
10 -113.1460650444 3.64E-12 1.52E-12 618.1
18733
Nuclear repulsion energy = 26.476413834190165
18734
Bq nuclear interaction energy = 0.23240592942494215
18740
Total SCF energy = -113.146065044364
18741
One-electron energy = -207.044009415805
18742
Two-electron energy = 67.189124607826
18743
Nuclear repulsion energy = 26.708819763615
18745
Time for solution = 2.1s
18771
ROHF Final Molecular Orbital Analysis
18772
-------------------------------------
18774
Vector 2 Occ=2.000000E+00 E=-1.144008E+01
18775
MO Center= 4.7E-01, 2.2E+00, -4.4E-01, r^2= 2.7E-02
18776
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
18777
----- ------------ --------------- ----- ------------ ---------------
18780
Vector 3 Occ=2.000000E+00 E=-1.195838E+00
18781
MO Center= -8.0E-01, 1.6E+00, -6.1E-01, r^2= 9.1E-01
18782
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
18783
----- ------------ --------------- ----- ------------ ---------------
18784
3 0.506338 1 O s 2 0.430092 1 O s
18785
17 0.157073 2 C s 31 0.153162 3 H s
18787
Vector 4 Occ=2.000000E+00 E=-1.088156E+00
18788
MO Center= 5.2E-01, 2.1E+00, -1.9E-01, r^2= 1.0E+00
18789
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
18790
----- ------------ --------------- ----- ------------ ---------------
18791
31 0.499165 3 H s 17 0.269084 2 C s
18792
3 -0.244534 1 O s 19 0.211367 2 C px
18793
21 0.211207 2 C pz 32 0.186877 3 H s
18796
Vector 5 Occ=2.000000E+00 E=-6.723543E-01
18797
MO Center= 3.1E-01, 2.3E+00, -9.6E-01, r^2= 1.2E+00
18798
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
18799
----- ------------ --------------- ----- ------------ ---------------
18800
21 0.412194 2 C pz 18 -0.348645 2 C s
18801
36 -0.312871 4 H s 31 0.237733 3 H s
18804
Vector 6 Occ=2.000000E+00 E=-4.952395E-01
18805
MO Center= -4.2E-01, 1.8E+00, -6.1E-01, r^2= 1.5E+00
18806
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
18807
----- ------------ --------------- ----- ------------ ---------------
18808
19 0.344970 2 C px 4 -0.296383 1 O px
18809
6 -0.266914 1 O pz 7 -0.238827 1 O px
18810
20 0.214059 2 C py 9 -0.211293 1 O pz
18811
3 0.191718 1 O s 18 -0.167438 2 C s
18813
Vector 7 Occ=2.000000E+00 E=-4.505437E-01
18814
MO Center= -8.8E-01, 1.6E+00, -7.0E-01, r^2= 1.1E+00
18815
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
18816
----- ------------ --------------- ----- ------------ ---------------
18817
6 0.533209 1 O pz 9 0.441728 1 O pz
18818
5 -0.213528 1 O py 8 -0.174388 1 O py
18820
Vector 8 Occ=2.000000E+00 E=-4.286534E-01
18821
MO Center= -9.4E-01, 1.5E+00, -6.6E-01, r^2= 9.0E-01
18822
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
18823
----- ------------ --------------- ----- ------------ ---------------
18824
5 0.524167 1 O py 8 0.419250 1 O py
18825
4 -0.222956 1 O px 7 -0.183411 1 O px
18827
Vector 9 Occ=0.000000E+00 E= 2.496604E-02
18828
MO Center= 3.7E-01, 2.1E+00, -4.6E-01, r^2= 1.5E+00
18829
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
18830
----- ------------ --------------- ----- ------------ ---------------
18831
23 0.487188 2 C py 20 0.439866 2 C py
18832
22 -0.252109 2 C px 19 -0.222290 2 C px
18833
8 -0.204169 1 O py 5 -0.194161 1 O py
18834
24 0.181222 2 C pz 21 0.167088 2 C pz
18836
Vector 10 Occ=0.000000E+00 E= 1.798638E-01
18837
MO Center= 5.6E-01, 2.5E+00, -1.3E+00, r^2= 3.0E+00
18838
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
18839
----- ------------ --------------- ----- ------------ ---------------
18840
37 1.360587 4 H s 18 -1.352247 2 C s
18841
32 0.701056 3 H s 24 0.467446 2 C pz
18842
23 -0.398453 2 C py 22 -0.398321 2 C px
18843
21 0.236428 2 C pz 20 -0.194723 2 C py
18844
19 -0.187849 2 C px 36 0.177349 4 H s
18846
Vector 11 Occ=0.000000E+00 E= 2.057033E-01
18847
MO Center= -1.1E-01, 1.9E+00, -5.8E-01, r^2= 2.6E+00
18848
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
18849
----- ------------ --------------- ----- ------------ ---------------
18850
18 1.631620 2 C s 32 -1.022045 3 H s
18851
7 -0.553853 1 O px 37 -0.400777 4 H s
18852
4 -0.379323 1 O px 3 -0.368921 1 O s
18853
22 -0.307062 2 C px 19 -0.275187 2 C px
18854
8 -0.226088 1 O py 17 0.196759 2 C s
18856
Vector 12 Occ=0.000000E+00 E= 2.355193E-01
18857
MO Center= 1.2E+00, 2.3E+00, 2.8E-01, r^2= 3.5E+00
18858
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
18859
----- ------------ --------------- ----- ------------ ---------------
18860
32 3.861780 3 H s 18 -2.578246 2 C s
18861
24 -1.061030 2 C pz 37 -0.892048 4 H s
18862
22 -0.672754 2 C px 3 -0.254955 1 O s
18863
21 -0.220387 2 C pz 7 -0.177786 1 O px
18865
Vector 13 Occ=0.000000E+00 E= 5.968592E-01
18866
MO Center= 6.5E-01, 2.4E+00, -7.9E-01, r^2= 2.6E+00
18867
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
18868
----- ------------ --------------- ----- ------------ ---------------
18869
32 2.169225 3 H s 22 -1.617946 2 C px
18870
18 -1.436100 2 C s 24 -1.015652 2 C pz
18871
37 -0.878656 4 H s 3 -0.684855 1 O s
18872
36 0.566263 4 H s 19 0.537604 2 C px
18873
23 -0.489038 2 C py 31 0.395100 3 H s
18875
Vector 14 Occ=0.000000E+00 E= 6.570591E-01
18876
MO Center= 3.5E-01, 2.5E+00, -1.3E+00, r^2= 2.1E+00
18877
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
18878
----- ------------ --------------- ----- ------------ ---------------
18879
36 1.016079 4 H s 37 -0.982539 4 H s
18880
22 0.882843 2 C px 32 -0.611793 3 H s
18881
18 0.551526 2 C s 3 0.374300 1 O s
18882
19 -0.362722 2 C px 24 0.353976 2 C pz
18883
29 -0.272664 2 C dyz 7 0.236801 1 O px
18885
Vector 15 Occ=0.000000E+00 E= 6.674121E-01
18886
MO Center= 5.4E-01, 2.1E+00, -4.6E-01, r^2= 2.0E+00
18887
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
18888
----- ------------ --------------- ----- ------------ ---------------
18889
23 0.911845 2 C py 20 -0.781754 2 C py
18890
24 0.405860 2 C pz 22 -0.401283 2 C px
18891
19 0.389567 2 C px 21 -0.281829 2 C pz
18892
34 -0.172731 3 H py
18894
Vector 16 Occ=0.000000E+00 E= 7.290507E-01
18895
MO Center= 3.8E-01, 2.1E+00, -4.0E-01, r^2= 2.7E+00
18896
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
18897
----- ------------ --------------- ----- ------------ ---------------
18898
32 2.972630 3 H s 24 -2.501237 2 C pz
18899
18 -2.171537 2 C s 37 -1.283447 4 H s
18900
23 0.642078 2 C py 22 -0.586943 2 C px
18901
21 0.585991 2 C pz 31 0.477929 3 H s
18902
20 -0.364321 2 C py 19 -0.225993 2 C px
18904
Vector 17 Occ=0.000000E+00 E= 8.867679E-01
18905
MO Center= 5.7E-01, 2.3E+00, -5.6E-01, r^2= 2.5E+00
18906
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
18907
----- ------------ --------------- ----- ------------ ---------------
18908
18 5.199201 2 C s 32 -2.410159 3 H s
18909
17 -1.142006 2 C s 37 -0.799851 4 H s
18910
16 -0.564672 2 C s 31 -0.553557 3 H s
18911
30 -0.459728 2 C dzz 21 0.448296 2 C pz
18912
22 0.394328 2 C px 25 -0.364374 2 C dxx
18914
Vector 18 Occ=0.000000E+00 E= 1.160497E+00
18915
MO Center= 3.1E-01, 2.0E+00, -1.7E-01, r^2= 2.5E+00
18916
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
18917
----- ------------ --------------- ----- ------------ ---------------
18918
18 3.691545 2 C s 32 -3.024902 3 H s
18919
24 1.177701 2 C pz 22 0.862062 2 C px
18920
27 0.660002 2 C dxz 17 -0.564119 2 C s
18921
9 -0.400190 1 O pz 26 -0.391646 2 C dxy
18922
6 0.357343 1 O pz 25 -0.347335 2 C dxx
18927
x = -0.66337297 y = 3.42196505 z = -1.11626563
18929
moments of inertia (a.u.)
18931
21.529646716884 -31.665149955668 -8.191699791411
18932
-31.665149955668 77.149171508820 -1.503115739254
18933
-8.191699791411 -1.503115739254 85.704653335447
18935
Mulliken analysis of the total density
18936
--------------------------------------
18938
Atom Charge Shell Charges
18939
----------- ------ -------------------------------------------------------
18940
1 O 8 8.63 2.00 0.87 1.08 2.57 2.12 -0.01
18941
2 C 6 5.29 2.00 0.66 0.30 1.75 0.49 0.09
18942
3 H 1 1.32 1.06 0.22 0.04
18943
4 H 1 0.77 0.60 0.14 0.03
18945
Multipole analysis of the density wrt the origin
18946
------------------------------------------------
18948
L x y z total open nuclear
18949
- - - - ----- ---- -------
18950
0 0 0 0 0.000000 0.000000 16.000000
18952
1 1 0 0 2.219187 0.000000 -8.548246
18953
1 0 1 0 1.031105 0.000000 55.955682
18954
1 0 0 1 0.041013 0.000000 -18.238500
18956
2 2 0 0 -10.644728 0.000000 43.980611
18957
2 1 1 0 7.316159 0.000000 -11.783782
18958
2 1 0 1 -2.619676 0.000000 13.356852
18959
2 0 2 0 -1.060580 0.000000 204.833786
18960
2 0 1 1 -1.322965 0.000000 -64.221164
18961
2 0 0 2 -7.962539 0.000000 26.498701
18963
Nuclear repulsion energy = 26.476413834190165
18964
Bq nuclear interaction energy = 0.23240592942494215
18966
Parallel integral file used 27 records with 0 large values
18968
NWChem Extensible Many-Electron Theory Module
18969
---------------------------------------------
18971
======================================================
18972
This portion of the program was automatically
18973
generated by a Tensor Contraction Engine (TCE).
18974
The development of this portion of the program
18975
and TCE was supported by US Department of Energy,
18976
Office of Science, Office of Basic Energy Science.
18977
TCE is a product of Battelle and PNNL.
18978
Please cite: S.Hirata, J.Phys.Chem.A 107, 9887 (2003).
18979
======================================================
18981
General Information
18982
-------------------
18983
Number of processors : 27
18984
Wavefunction type : Restricted Hartree-Fock
18985
No. of electrons : 16
18986
Alpha electrons : 8
18988
No. of orbitals : 80
18989
Alpha orbitals : 40
18991
Alpha frozen cores : 0
18992
Beta frozen cores : 0
18993
Alpha frozen virtuals : 0
18994
Beta frozen virtuals : 0
18995
Spin multiplicity : singlet
18996
Number of AO functions : 40
18997
Number of AO shells : 18
18998
Use of symmetry is : off
18999
Symmetry adaption is : off
19000
Schwarz screening : 0.00E+00
19002
Correlation Information
19003
-----------------------
19004
Calculation type : Coupled-cluster singles & doubles
19005
Perturbative correction : none
19006
Max iterations : 200
19007
Residual threshold : 0.10E-05
19008
T(0) DIIS level shift : 0.00E+00
19009
L(0) DIIS level shift : 0.00E+00
19010
T(1) DIIS level shift : 0.00E+00
19011
L(1) DIIS level shift : 0.00E+00
19012
T(R) DIIS level shift : 0.00E+00
19013
T(I) DIIS level shift : 0.00E+00
19014
CC-T/L Amplitude update : 5-th order DIIS
19015
I/O scheme : Global Array Library
19019
Available GA space size is 2654059007 doubles
19020
Available MA space size is 49129373 doubles
19022
Maximum block size supplied by input
19023
Maximum block size 12 doubles
19027
Block Spin Irrep Size Offset Alpha
19028
-------------------------------------------------
19029
1 alpha a 8 doubles 0 1
19030
2 beta a 8 doubles 8 1
19031
3 alpha a 10 doubles 16 3
19032
4 alpha a 11 doubles 26 4
19033
5 alpha a 11 doubles 37 5
19034
6 beta a 10 doubles 48 3
19035
7 beta a 11 doubles 58 4
19036
8 beta a 11 doubles 69 5
19038
Global array virtual files algorithm will be used
19040
Parallel file system coherency ......... OK
19042
#quartets = 1.471E+04 #integrals = 3.764E+05 #direct = 0.0% #cached =100.0%
19045
Integral file = /scratch/fmd.aoints.00
19046
Record size in doubles = 65536 No. of integs per rec = 43688
19047
Max. records in memory = 2 Max. records in file = 225827
19048
No. of bits per label = 8 No. of bits per value = 64
19051
File balance: exchanges= 0 moved= 0 time= 0.0
19054
Fock matrix recomputed
19055
1-e file size = 1600
19056
1-e file name = /scratch/fmd.f1
19057
1-e file handle = -993
19058
Cpu & wall time / sec 0.1 0.1
19060
2-e (intermediate) file size = 5769600
19061
2-e (intermediate) file name = /scratch/fmd.v2i
19062
Cpu & wall time / sec 0.1 0.1
19064
2-e file size = 3566009
19065
2-e file name = /scratch/fmd.v2
19066
2-e file handle = -991
19067
Cpu & wall time / sec 0.1 0.1
19070
t1 file name = /scratch/fmd.t1
19071
t1 file handle = -992
19072
Cpu & wall time / sec 0.0
19073
before tce_guess_t2
19076
t2 file size = 109248
19077
t2 file name = /scratch/fmd.t2
19078
t2 file handle = -989
19079
Cpu & wall time / sec 0.0
19082
-----------------------------------------------------------------
19083
Iter Residuum Correlation Cpu Wall V2*C2
19084
-----------------------------------------------------------------
19085
1 0.1755881748170 -0.3317330533010 0.2 0.2 0.0
19086
2 0.1343391597879 -0.3279502051034 0.2 0.2 0.0
19087
3 0.0480302587827 -0.3559095287800 0.2 0.2 0.0
19088
4 0.0785836797897 -0.3516984049896 0.2 0.2 0.0
19089
5 0.0297117547655 -0.3633168174570 0.2 0.2 0.0
19090
MICROCYCLE DIIS UPDATE: 5 5
19091
6 0.0236296185164 -0.3732092908716 0.2 0.2 0.0
19092
7 0.0108179551213 -0.3730428596970 0.2 0.2 0.0
19093
8 0.0060171895400 -0.3738670885410 0.2 0.2 0.0
19094
9 0.0054018672374 -0.3738916419213 0.2 0.2 0.0
19095
10 0.0031570347468 -0.3743570578822 0.2 0.2 0.0
19096
MICROCYCLE DIIS UPDATE: 10 5
19097
11 0.0014768352208 -0.3749040313572 0.2 0.2 0.0
19098
12 0.0013776130321 -0.3750291374890 0.2 0.2 0.0
19099
13 0.0006436681109 -0.3751901158797 0.1 0.2 0.0
19100
14 0.0007880753434 -0.3752072579594 0.2 0.2 0.0
19101
15 0.0004116023109 -0.3752955247524 0.2 0.2 0.0
19102
MICROCYCLE DIIS UPDATE: 15 5
19103
16 0.0001836437864 -0.3754311769062 0.2 0.2 0.0
19104
17 0.0001276487156 -0.3754357705795 0.2 0.2 0.0
19105
18 0.0001075452450 -0.3754356223905 0.2 0.2 0.0
19106
19 0.0000964940008 -0.3754347530431 0.2 0.2 0.0
19107
20 0.0000852553642 -0.3754349558948 0.2 0.2 0.0
19108
MICROCYCLE DIIS UPDATE: 20 5
19109
21 0.0000344687324 -0.3754344309882 0.2 0.2 0.0
19110
22 0.0000243172980 -0.3754337342202 0.2 0.2 0.0
19111
23 0.0000163320821 -0.3754361652471 0.2 0.2 0.0
19112
24 0.0000145364874 -0.3754349194224 0.2 0.2 0.0
19113
25 0.0000113769638 -0.3754361812579 0.2 0.2 0.0
19114
MICROCYCLE DIIS UPDATE: 25 5
19115
26 0.0000076294918 -0.3754358125194 0.2 0.2 0.0
19116
27 0.0000050557376 -0.3754358654769 0.2 0.2 0.0
19117
28 0.0000046613661 -0.3754358854103 0.2 0.2 0.0
19118
29 0.0000038483764 -0.3754358167424 0.2 0.2 0.0
19119
30 0.0000035697981 -0.3754358355318 0.2 0.2 0.0
19120
MICROCYCLE DIIS UPDATE: 30 5
19121
31 0.0000013682626 -0.3754358008327 0.2 0.2 0.0
19122
32 0.0000011555548 -0.3754357661730 0.2 0.2 0.0
19123
33 0.0000006965572 -0.3754358540218 0.2 0.2 0.0
19124
-----------------------------------------------------------------
19125
Iterations converged
19126
CCSD correlation energy / hartree = -0.375435854021803
19127
CCSD total energy / hartree = -113.521500898386066
19129
Singles contributions
19130
9a (alpha) --- 8a (alpha) 0.3838736301
19132
Doubles contributions
19133
9a (alpha) 9a (beta ) --- 8a (alpha) 8a (beta ) -0.2219500674
19135
CCSD Lambda iterations
19136
--------------------------------------
19137
Iter Residuum Cpu Wall
19138
--------------------------------------
19139
1 1.5725149045494 0.5 0.6
19140
2 0.0573501496247 0.5 0.6
19141
3 0.0239263802135 0.4 0.6
19142
4 0.0076458829549 0.5 0.6
19143
5 0.0076798476856 0.5 0.6
19144
MICROCYCLE DIIS UPDATE: 5 5
19145
6 0.0006596220006 0.5 0.6
19146
7 0.0005141784864 0.5 0.6
19147
8 0.0002090723790 0.5 0.6
19148
9 0.0001826010802 0.5 0.6
19149
10 0.0000763301725 0.5 0.6
19150
MICROCYCLE DIIS UPDATE: 10 5
19151
11 0.0000012911359 0.5 0.6
19152
12 0.0000004775479 0.5 0.6
19153
--------------------------------------
19154
Iterations converged
19156
MO Z-VEC iterations
19157
--------------------------------------
19158
Iter Residuum Cpu Wall
19159
--------------------------------------
19160
1 0.0468706895630 0.0 0.0
19161
2 0.0245803044120 0.0 0.0
19162
3 0.0257476263068 0.0 0.0
19163
4 0.0227365947530 0.0 0.0
19164
5 0.0238252338281 0.0 0.0
19165
MICROCYCLE DIIS UPDATE: 5 5
19166
6 0.0023001522810 0.0 0.0
19167
7 0.0008844526051 0.0 0.0
19168
8 0.0005394233396 0.0 0.0
19169
9 0.0003908826306 0.0 0.0
19170
10 0.0003268003212 0.0 0.0
19171
MICROCYCLE DIIS UPDATE: 10 5
19172
11 0.0001357331819 0.0 0.0
19173
12 0.0000837189665 0.0 0.0
19174
13 0.0000561595064 0.0 0.0
19175
14 0.0000549713708 0.0 0.0
19176
15 0.0000423694555 0.0 0.0
19177
MICROCYCLE DIIS UPDATE: 15 5
19178
16 0.0000118585934 0.0 0.0
19179
17 0.0000049099655 0.0 0.0
19180
18 0.0000030507357 0.0 0.0
19181
19 0.0000021920495 0.0 0.0
19182
20 0.0000017299225 0.0 0.0
19183
MICROCYCLE DIIS UPDATE: 20 5
19184
21 0.0000008807357 0.0 0.0
19185
--------------------------------------
19186
Iterations converged
19188
NWChem Gradients Module
19189
-----------------------
19193
wavefunction = TCE RHF CCSD
19197
ccsd ENERGY GRADIENTS
19199
atom coordinates gradient
19201
1 O -2.094269 2.782947 -1.285313 -0.145500 -0.059825 -0.044882
19202
2 C 0.893547 4.069570 -0.826977 1.372628 0.125217 1.677091
19203
3 H 1.590265 4.138778 0.035367 -1.217835 -0.102779 -1.549117
19204
4 H 1.254356 5.135908 -3.029498 0.005764 0.039842 -0.085045
19206
----------------------------------------
19207
| Time | 1-e(secs) | 2-e(secs) |
19208
----------------------------------------
19209
| CPU | 0.12 | 0.12 |
19210
----------------------------------------
19211
| WALL | 0.14 | 0.13 |
19212
----------------------------------------
19214
Parallel integral file used 27 records with 0 large values
19216
Bq nuclear interaction energy = 0.23240592942494215
19217
------------------------------------------------------------------------
19219
------------------------------------------------------------------------
19220
quantum energy -113.521500898 (-.298051E+06 kjoule/mol)
19221
quantum energy adjusted -113.521500898 (-.298051E+06 kjoule/mol)
19222
quantum energy internal -113.753906828 (-.298661E+06 kjoule/mol)
19223
Bq-nuclear energy 0.232405929 (0.610182E+03 kjoule/mol)
19224
Bq-electron energy 0.000000000 (0.000000E+00 kjoule/mol)
19225
classical energy -7.446655030 (-.195512E+05 kjoule/mol)
19226
total qmmm energy -120.968155928 (-.317602E+06 kjoule/mol)
19227
------------------------------------------------------------------------
19229
Total number of active Bq charges 0
19230
frozen_density,esp T T
19231
disabling frozen_density,esp due to active qm atoms
19237
ao basis = "ao basis"
19244
input vectors = /home/d3p975/codes/nwchem-svn/nwchem/QA/tests/tce_qmmm_ccsd_opt/perm/fmd.movecs
19245
output vectors = /home/d3p975/codes/nwchem-svn/nwchem/QA/tests/tce_qmmm_ccsd_opt/perm/fmd.movecs
19250
Summary of "ao basis" -> "ao basis" (cartesian)
19251
------------------------------------------------------------------------------
19252
Tag Description Shells Functions and Types
19253
---------------- ------------------------------ ------ ---------------------
19254
O cc-pVDZ 6 15 3s2p1d
19255
C cc-pVDZ 6 15 3s2p1d
19260
Forming initial guess at 737.4s
19263
Loading old vectors from job with title :
19267
Nuclear repulsion energy = 31.036104872922685
19268
Bq nuclear interaction energy = 0.10343405055103308
19270
Starting SCF solution at 737.4s
19274
----------------------------------------------
19275
Quadratically convergent ROHF
19277
Convergence threshold : 1.000E-10
19278
Maximum no. of iterations : 200
19279
Final Fock-matrix accuracy: 0.000E+00
19280
----------------------------------------------
19283
#quartets = 1.471E+04 #integrals = 3.752E+05 #direct = 0.0% #cached =100.0%
19286
Integral file = /scratch/fmd.aoints.00
19287
Record size in doubles = 65536 No. of integs per rec = 43688
19288
Max. records in memory = 2 Max. records in file = 225827
19289
No. of bits per label = 8 No. of bits per value = 64
19292
File balance: exchanges= 0 moved= 0 time= 0.0
19294
Nuclear repulsion energy = 31.036104872922685
19295
Bq nuclear interaction energy = 0.10343405055103308
19297
iter energy gnorm gmax time
19298
----- ------------------- --------- --------- --------
19299
1 -113.6809548851 1.52E+00 4.70E-01 657.9
19300
Nuclear repulsion energy = 31.036104872922685
19301
Bq nuclear interaction energy = 0.10343405055103308
19302
2 -113.8857750606 4.51E-01 1.47E-01 658.0
19303
Nuclear repulsion energy = 31.036104872922685
19304
Bq nuclear interaction energy = 0.10343405055103308
19305
Nuclear repulsion energy = 31.036104872922685
19306
Bq nuclear interaction energy = 0.10343405055103308
19307
3 -113.9096845005 2.70E-01 1.10E-01 658.1
19308
Nuclear repulsion energy = 31.036104872922685
19309
Bq nuclear interaction energy = 0.10343405055103308
19310
4 -113.9141383271 8.04E-02 3.77E-02 658.2
19311
Nuclear repulsion energy = 31.036104872922685
19312
Bq nuclear interaction energy = 0.10343405055103308
19313
5 -113.9147724052 4.13E-03 1.82E-03 658.4
19314
Nuclear repulsion energy = 31.036104872922685
19315
Bq nuclear interaction energy = 0.10343405055103308
19316
6 -113.9147756470 8.71E-06 2.81E-06 658.6
19317
Nuclear repulsion energy = 31.036104872922685
19318
Bq nuclear interaction energy = 0.10343405055103308
19319
7 -113.9147756470 3.23E-11 7.38E-12 659.0
19320
Nuclear repulsion energy = 31.036104872922685
19321
Bq nuclear interaction energy = 0.10343405055103308
19327
Total SCF energy = -113.914775647004
19328
One-electron energy = -217.198153045299
19329
Two-electron energy = 72.143838474821
19330
Nuclear repulsion energy = 31.139538923474
19332
Time for solution = 1.2s
19358
ROHF Final Molecular Orbital Analysis
19359
-------------------------------------
19361
Vector 2 Occ=2.000000E+00 E=-1.134289E+01
19362
MO Center= 2.3E-01, 2.2E+00, -5.9E-01, r^2= 2.7E-02
19363
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
19364
----- ------------ --------------- ----- ------------ ---------------
19367
Vector 3 Occ=2.000000E+00 E=-1.395389E+00
19368
MO Center= -5.8E-01, 1.8E+00, -5.6E-01, r^2= 5.0E-01
19369
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
19370
----- ------------ --------------- ----- ------------ ---------------
19371
2 0.409333 1 O s 3 0.388908 1 O s
19372
17 0.207302 2 C s 19 -0.163663 2 C px
19374
Vector 4 Occ=2.000000E+00 E=-8.544225E-01
19375
MO Center= 1.8E-01, 2.1E+00, -5.8E-01, r^2= 1.4E+00
19376
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
19377
----- ------------ --------------- ----- ------------ ---------------
19378
17 0.355406 2 C s 3 -0.260638 1 O s
19379
18 0.234748 2 C s 31 0.228790 3 H s
19380
36 0.225198 4 H s 2 -0.192014 1 O s
19383
Vector 5 Occ=2.000000E+00 E=-6.767978E-01
19384
MO Center= -1.9E-02, 2.0E+00, -5.8E-01, r^2= 1.3E+00
19385
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
19386
----- ------------ --------------- ----- ------------ ---------------
19387
21 0.368909 2 C pz 6 0.333707 1 O pz
19388
36 -0.235700 4 H s 31 0.233766 3 H s
19391
Vector 6 Occ=2.000000E+00 E=-6.502217E-01
19392
MO Center= -5.0E-01, 1.8E+00, -5.6E-01, r^2= 1.3E+00
19393
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
19394
----- ------------ --------------- ----- ------------ ---------------
19395
4 0.437343 1 O px 19 -0.350619 2 C px
19396
7 0.290450 1 O px 3 -0.255003 1 O s
19397
5 0.202910 1 O py 20 -0.171237 2 C py
19399
Vector 7 Occ=2.000000E+00 E=-5.264057E-01
19400
MO Center= -5.5E-01, 1.8E+00, -5.6E-01, r^2= 9.2E-01
19401
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
19402
----- ------------ --------------- ----- ------------ ---------------
19403
5 0.431544 1 O py 8 0.313286 1 O py
19404
20 0.262697 2 C py 4 -0.192881 1 O px
19405
6 0.182615 1 O pz 23 0.150735 2 C py
19407
Vector 8 Occ=2.000000E+00 E=-4.364755E-01
19408
MO Center= -2.7E-01, 1.9E+00, -5.7E-01, r^2= 1.6E+00
19409
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
19410
----- ------------ --------------- ----- ------------ ---------------
19411
6 0.486534 1 O pz 9 0.408512 1 O pz
19412
31 -0.255041 3 H s 36 0.254718 4 H s
19413
21 -0.216431 2 C pz 5 -0.164507 1 O py
19415
Vector 9 Occ=0.000000E+00 E= 1.465828E-01
19416
MO Center= 4.2E-02, 2.1E+00, -5.8E-01, r^2= 1.7E+00
19417
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
19418
----- ------------ --------------- ----- ------------ ---------------
19419
23 0.584248 2 C py 8 -0.417174 1 O py
19420
20 0.370735 2 C py 5 -0.300397 1 O py
19421
22 -0.275568 2 C px 24 0.250042 2 C pz
19422
7 0.195622 1 O px 9 -0.175644 1 O pz
19423
19 -0.173700 2 C px 21 0.157116 2 C pz
19425
Vector 10 Occ=0.000000E+00 E= 2.233714E-01
19426
MO Center= 9.4E-01, 2.4E+00, -4.5E-01, r^2= 4.0E+00
19427
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
19428
----- ------------ --------------- ----- ------------ ---------------
19429
18 1.914092 2 C s 32 -1.501623 3 H s
19430
37 -1.238402 4 H s 22 0.605631 2 C px
19431
23 0.257347 2 C py 19 0.165877 2 C px
19433
Vector 11 Occ=0.000000E+00 E= 2.910828E-01
19434
MO Center= 9.8E-01, 2.6E+00, -7.9E-01, r^2= 4.1E+00
19435
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
19436
----- ------------ --------------- ----- ------------ ---------------
19437
37 1.928770 4 H s 32 -1.750430 3 H s
19438
24 1.292642 2 C pz 23 -0.448354 2 C py
19439
21 0.340780 2 C pz 9 -0.272739 1 O pz
19442
Vector 12 Occ=0.000000E+00 E= 3.718078E-01
19443
MO Center= 1.1E-01, 2.1E+00, -5.9E-01, r^2= 3.0E+00
19444
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
19445
----- ------------ --------------- ----- ------------ ---------------
19446
3 1.811938 1 O s 22 1.556310 2 C px
19447
18 -1.381495 2 C s 23 0.738987 2 C py
19448
7 0.623124 1 O px 8 0.297876 1 O py
19450
Vector 13 Occ=0.000000E+00 E= 6.835292E-01
19451
MO Center= 6.7E-01, 2.5E+00, -5.6E-01, r^2= 1.7E+00
19452
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
19453
----- ------------ --------------- ----- ------------ ---------------
19454
18 1.049033 2 C s 31 -0.763990 3 H s
19455
36 -0.749170 4 H s 30 -0.297094 2 C dzz
19456
22 0.292245 2 C px 29 0.282506 2 C dyz
19457
23 0.276732 2 C py 17 -0.214144 2 C s
19458
16 -0.195989 2 C s 32 0.194882 3 H s
19460
Vector 14 Occ=0.000000E+00 E= 6.960574E-01
19461
MO Center= 3.0E-01, 2.1E+00, -6.3E-01, r^2= 1.9E+00
19462
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
19463
----- ------------ --------------- ----- ------------ ---------------
19464
23 0.893630 2 C py 20 -0.866295 2 C py
19465
22 -0.458234 2 C px 19 0.401200 2 C px
19466
21 -0.360652 2 C pz 24 0.357143 2 C pz
19468
Vector 15 Occ=0.000000E+00 E= 7.560427E-01
19469
MO Center= 5.2E-02, 2.1E+00, -5.9E-01, r^2= 2.3E+00
19470
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
19471
----- ------------ --------------- ----- ------------ ---------------
19472
24 1.926049 2 C pz 36 0.704628 4 H s
19473
31 -0.693139 3 H s 32 -0.620459 3 H s
19474
23 -0.616613 2 C py 37 0.614590 4 H s
19475
22 0.376660 2 C px 9 -0.324681 1 O pz
19476
6 -0.297064 1 O pz 21 -0.276544 2 C pz
19478
Vector 16 Occ=0.000000E+00 E= 8.354150E-01
19479
MO Center= 5.5E-01, 2.3E+00, -5.9E-01, r^2= 2.5E+00
19480
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
19481
----- ------------ --------------- ----- ------------ ---------------
19482
24 1.512412 2 C pz 32 -1.500656 3 H s
19483
37 1.456762 4 H s 21 -0.764808 2 C pz
19484
27 0.524072 2 C dxz 23 -0.484191 2 C py
19485
36 -0.362679 4 H s 31 0.350734 3 H s
19486
22 0.322443 2 C px 29 0.264671 2 C dyz
19488
Vector 17 Occ=0.000000E+00 E= 8.929047E-01
19489
MO Center= -2.8E-02, 2.0E+00, -5.8E-01, r^2= 1.5E+00
19490
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
19491
----- ------------ --------------- ----- ------------ ---------------
19492
22 0.950929 2 C px 19 -0.903568 2 C px
19493
18 0.877631 2 C s 37 -0.516651 4 H s
19494
23 0.475061 2 C py 32 -0.463305 3 H s
19495
20 -0.443653 2 C py 7 -0.416956 1 O px
19496
26 -0.308763 2 C dxy 4 -0.269526 1 O px
19498
Vector 18 Occ=0.000000E+00 E= 9.594966E-01
19499
MO Center= 5.8E-01, 2.3E+00, -6.3E-01, r^2= 2.7E+00
19500
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
19501
----- ------------ --------------- ----- ------------ ---------------
19502
18 4.080343 2 C s 17 -1.676120 2 C s
19503
37 -1.317584 4 H s 32 -1.262640 3 H s
19504
16 -0.786867 2 C s 22 0.487145 2 C px
19505
3 -0.453297 1 O s 28 -0.288294 2 C dyy
19506
23 0.240161 2 C py 30 -0.239759 2 C dzz
19511
x = -0.59868146 y = 3.58489219 z = -1.07160367
19513
moments of inertia (a.u.)
19515
15.140955575752 -18.102585271089 0.475725542728
19516
-18.102585271089 44.184315851436 2.582322327721
19517
0.475725542728 2.582322327721 48.023525588883
19519
Mulliken analysis of the total density
19520
--------------------------------------
19522
Atom Charge Shell Charges
19523
----------- ------ -------------------------------------------------------
19524
1 O 8 8.47 2.00 0.84 0.92 2.79 1.90 0.02
19525
2 C 6 5.68 2.00 0.70 0.44 1.82 0.59 0.12
19526
3 H 1 0.93 0.75 0.15 0.03
19527
4 H 1 0.92 0.75 0.13 0.03
19529
Multipole analysis of the density wrt the origin
19530
------------------------------------------------
19532
L x y z total open nuclear
19533
- - - - ----- ---- -------
19534
0 0 0 0 0.000000 0.000000 16.000000
19536
1 1 0 0 1.402801 0.000000 -7.571962
19537
1 0 1 0 0.653199 0.000000 58.328273
19538
1 0 0 1 -0.073854 0.000000 -17.228814
19540
2 2 0 0 -10.037387 0.000000 26.780016
19541
2 1 1 0 4.680464 0.000000 -16.883463
19542
2 1 0 1 -1.470139 0.000000 8.303877
19543
2 0 2 0 -3.680546 0.000000 218.565643
19544
2 0 1 1 -1.061056 0.000000 -65.070469
19545
2 0 0 2 -8.052931 0.000000 24.133239
19547
Nuclear repulsion energy = 31.036104872922685
19548
Bq nuclear interaction energy = 0.10343405055103308
19550
Parallel integral file used 27 records with 0 large values
19552
NWChem Extensible Many-Electron Theory Module
19553
---------------------------------------------
19555
======================================================
19556
This portion of the program was automatically
19557
generated by a Tensor Contraction Engine (TCE).
19558
The development of this portion of the program
19559
and TCE was supported by US Department of Energy,
19560
Office of Science, Office of Basic Energy Science.
19561
TCE is a product of Battelle and PNNL.
19562
Please cite: S.Hirata, J.Phys.Chem.A 107, 9887 (2003).
19563
======================================================
19565
General Information
19566
-------------------
19567
Number of processors : 27
19568
Wavefunction type : Restricted Hartree-Fock
19569
No. of electrons : 16
19570
Alpha electrons : 8
19572
No. of orbitals : 80
19573
Alpha orbitals : 40
19575
Alpha frozen cores : 0
19576
Beta frozen cores : 0
19577
Alpha frozen virtuals : 0
19578
Beta frozen virtuals : 0
19579
Spin multiplicity : singlet
19580
Number of AO functions : 40
19581
Number of AO shells : 18
19582
Use of symmetry is : off
19583
Symmetry adaption is : off
19584
Schwarz screening : 0.00E+00
19586
Correlation Information
19587
-----------------------
19588
Calculation type : Coupled-cluster singles & doubles
19589
Perturbative correction : none
19590
Max iterations : 200
19591
Residual threshold : 0.10E-05
19592
T(0) DIIS level shift : 0.00E+00
19593
L(0) DIIS level shift : 0.00E+00
19594
T(1) DIIS level shift : 0.00E+00
19595
L(1) DIIS level shift : 0.00E+00
19596
T(R) DIIS level shift : 0.00E+00
19597
T(I) DIIS level shift : 0.00E+00
19598
CC-T/L Amplitude update : 5-th order DIIS
19599
I/O scheme : Global Array Library
19603
Available GA space size is 2654059007 doubles
19604
Available MA space size is 49129373 doubles
19606
Maximum block size supplied by input
19607
Maximum block size 12 doubles
19611
Block Spin Irrep Size Offset Alpha
19612
-------------------------------------------------
19613
1 alpha a 8 doubles 0 1
19614
2 beta a 8 doubles 8 1
19615
3 alpha a 10 doubles 16 3
19616
4 alpha a 11 doubles 26 4
19617
5 alpha a 11 doubles 37 5
19618
6 beta a 10 doubles 48 3
19619
7 beta a 11 doubles 58 4
19620
8 beta a 11 doubles 69 5
19622
Global array virtual files algorithm will be used
19624
Parallel file system coherency ......... OK
19626
#quartets = 1.471E+04 #integrals = 3.752E+05 #direct = 0.0% #cached =100.0%
19629
Integral file = /scratch/fmd.aoints.00
19630
Record size in doubles = 65536 No. of integs per rec = 43688
19631
Max. records in memory = 2 Max. records in file = 225827
19632
No. of bits per label = 8 No. of bits per value = 64
19635
File balance: exchanges= 0 moved= 0 time= 0.0
19638
Fock matrix recomputed
19639
1-e file size = 1600
19640
1-e file name = /scratch/fmd.f1
19641
1-e file handle = -993
19642
Cpu & wall time / sec 0.1 0.2
19644
2-e (intermediate) file size = 5769600
19645
2-e (intermediate) file name = /scratch/fmd.v2i
19646
Cpu & wall time / sec 0.1 0.1
19648
2-e file size = 3566009
19649
2-e file name = /scratch/fmd.v2
19650
2-e file handle = -991
19651
Cpu & wall time / sec 0.1 0.1
19654
t1 file name = /scratch/fmd.t1
19655
t1 file handle = -992
19656
Cpu & wall time / sec 0.0
19657
before tce_guess_t2
19660
t2 file size = 109248
19661
t2 file name = /scratch/fmd.t2
19662
t2 file handle = -989
19663
Cpu & wall time / sec 0.0
19666
-----------------------------------------------------------------
19667
Iter Residuum Correlation Cpu Wall V2*C2
19668
-----------------------------------------------------------------
19669
1 0.1517857749401 -0.3228237383040 0.2 0.2 0.0
19670
2 0.0553622797060 -0.3256595094836 0.2 0.2 0.0
19671
3 0.0173924324280 -0.3361465881928 0.2 0.2 0.0
19672
4 0.0105768555456 -0.3366770496890 0.2 0.2 0.0
19673
5 0.0044880628819 -0.3379159045196 0.2 0.2 0.0
19674
MICROCYCLE DIIS UPDATE: 5 5
19675
6 0.0016847406522 -0.3383432967501 0.2 0.2 0.0
19676
7 0.0007095431347 -0.3384535809955 0.2 0.2 0.0
19677
8 0.0003986961068 -0.3384573822153 0.2 0.2 0.0
19678
9 0.0002225011742 -0.3384617941708 0.2 0.2 0.0
19679
10 0.0001333520858 -0.3384669721539 0.1 0.2 0.0
19680
MICROCYCLE DIIS UPDATE: 10 5
19681
11 0.0000241038163 -0.3384736527069 0.2 0.2 0.0
19682
12 0.0000134955632 -0.3384742121520 0.2 0.2 0.0
19683
13 0.0000092304905 -0.3384752350664 0.2 0.2 0.0
19684
14 0.0000070025896 -0.3384752885653 0.2 0.2 0.0
19685
15 0.0000053857816 -0.3384754116842 0.2 0.2 0.0
19686
MICROCYCLE DIIS UPDATE: 15 5
19687
16 0.0000011784595 -0.3384754038090 0.2 0.2 0.0
19688
17 0.0000006021537 -0.3384754952730 0.2 0.2 0.0
19689
-----------------------------------------------------------------
19690
Iterations converged
19691
CCSD correlation energy / hartree = -0.338475495272953
19692
CCSD total energy / hartree = -114.253251142276753
19694
Singles contributions
19696
Doubles contributions
19697
9a (alpha) 9a (beta ) --- 7a (alpha) 7a (beta ) -0.1175341446
19699
CCSD Lambda iterations
19700
--------------------------------------
19701
Iter Residuum Cpu Wall
19702
--------------------------------------
19703
1 1.6752744605909 0.4 0.6
19704
2 0.0293767446070 0.5 0.6
19705
3 0.0031919893336 0.4 0.6
19706
4 0.0003691170418 0.5 0.6
19707
5 0.0001074947200 0.4 0.6
19708
MICROCYCLE DIIS UPDATE: 5 5
19709
6 0.0000241124838 0.4 0.6
19710
7 0.0000046682938 0.5 0.6
19711
8 0.0000015024139 0.4 0.6
19712
9 0.0000004880930 0.4 0.6
19713
--------------------------------------
19714
Iterations converged
19716
MO Z-VEC iterations
19717
--------------------------------------
19718
Iter Residuum Cpu Wall
19719
--------------------------------------
19720
1 0.0235021553889 0.0 0.0
19721
2 0.0076679155946 0.0 0.0
19722
3 0.0030664260006 0.0 0.0
19723
4 0.0027765603660 0.0 0.0
19724
5 0.0017304354133 0.0 0.0
19725
MICROCYCLE DIIS UPDATE: 5 5
19726
6 0.0003215633462 0.0 0.0
19727
7 0.0001734737307 0.0 0.0
19728
8 0.0000817241115 0.0 0.0
19729
9 0.0000696165234 0.0 0.0
19730
10 0.0000369269996 0.0 0.0
19731
MICROCYCLE DIIS UPDATE: 10 5
19732
11 0.0000046925274 0.0 0.0
19733
12 0.0000023365319 0.0 0.0
19734
13 0.0000011718436 0.0 0.0
19735
14 0.0000009883348 0.0 0.0
19736
--------------------------------------
19737
Iterations converged
19739
NWChem Gradients Module
19740
-----------------------
19744
wavefunction = TCE RHF CCSD
19748
ccsd ENERGY GRADIENTS
19750
atom coordinates gradient
19752
1 O -1.632878 3.086652 -1.028793 0.012069 0.001441 0.002490
19753
2 C 0.439597 4.084571 -1.114570 0.000906 0.000265 0.000991
19754
3 H 1.757679 4.022005 0.509084 -0.000464 0.000119 -0.000521
19755
4 H 1.095803 5.105631 -2.820134 -0.000801 0.000536 0.000097
19757
----------------------------------------
19758
| Time | 1-e(secs) | 2-e(secs) |
19759
----------------------------------------
19760
| CPU | 0.06 | 0.14 |
19761
----------------------------------------
19762
| WALL | 0.15 | 0.14 |
19763
----------------------------------------
19765
Parallel integral file used 27 records with 0 large values
19767
Bq nuclear interaction energy = 0.10343405055103308
19768
------------------------------------------------------------------------
19770
------------------------------------------------------------------------
19771
quantum energy -114.253251142 (-.299972E+06 kjoule/mol)
19772
quantum energy adjusted -114.253251142 (-.299972E+06 kjoule/mol)
19773
quantum energy internal -114.356685193 (-.300243E+06 kjoule/mol)
19774
Bq-nuclear energy 0.103434051 (0.271566E+03 kjoule/mol)
19775
Bq-electron energy 0.000000000 (0.000000E+00 kjoule/mol)
19776
classical energy -7.460603192 (-.195878E+05 kjoule/mol)
19777
total qmmm energy -121.713854334 (-.319560E+06 kjoule/mol)
19778
------------------------------------------------------------------------
19780
Total number of active Bq charges 0
19781
frozen_density,esp T T
19782
disabling frozen_density,esp due to active qm atoms
19788
ao basis = "ao basis"
19795
input vectors = /home/d3p975/codes/nwchem-svn/nwchem/QA/tests/tce_qmmm_ccsd_opt/perm/fmd.movecs
19796
output vectors = /home/d3p975/codes/nwchem-svn/nwchem/QA/tests/tce_qmmm_ccsd_opt/perm/fmd.movecs
19801
Summary of "ao basis" -> "ao basis" (cartesian)
19802
------------------------------------------------------------------------------
19803
Tag Description Shells Functions and Types
19804
---------------- ------------------------------ ------ ---------------------
19805
O cc-pVDZ 6 15 3s2p1d
19806
C cc-pVDZ 6 15 3s2p1d
19811
Forming initial guess at 777.6s
19814
Loading old vectors from job with title :
19818
Nuclear repulsion energy = 31.048422743748599
19819
Bq nuclear interaction energy = 0.10325100298917687
19821
Starting SCF solution at 777.6s
19825
----------------------------------------------
19826
Quadratically convergent ROHF
19828
Convergence threshold : 1.000E-10
19829
Maximum no. of iterations : 200
19830
Final Fock-matrix accuracy: 0.000E+00
19831
----------------------------------------------
19834
#quartets = 1.471E+04 #integrals = 3.752E+05 #direct = 0.0% #cached =100.0%
19837
Integral file = /scratch/fmd.aoints.00
19838
Record size in doubles = 65536 No. of integs per rec = 43688
19839
Max. records in memory = 2 Max. records in file = 225827
19840
No. of bits per label = 8 No. of bits per value = 64
19843
File balance: exchanges= 0 moved= 0 time= 0.0
19845
Nuclear repulsion energy = 31.048422743748599
19846
Bq nuclear interaction energy = 0.10325100298917687
19848
iter energy gnorm gmax time
19849
----- ------------------- --------- --------- --------
19850
1 -113.9148161464 2.83E-03 6.84E-04 693.6
19851
Nuclear repulsion energy = 31.048422743748599
19852
Bq nuclear interaction energy = 0.10325100298917687
19853
2 -113.9148168169 4.96E-06 2.18E-06 693.8
19854
Nuclear repulsion energy = 31.048422743748599
19855
Bq nuclear interaction energy = 0.10325100298917687
19856
3 -113.9148168169 2.24E-11 8.93E-12 694.2
19857
Nuclear repulsion energy = 31.048422743748599
19858
Bq nuclear interaction energy = 0.10325100298917687
19864
Total SCF energy = -113.914816816917
19865
One-electron energy = -217.221200492665
19866
Two-electron energy = 72.154709929011
19867
Nuclear repulsion energy = 31.151673746738
19869
Time for solution = 0.7s
19895
ROHF Final Molecular Orbital Analysis
19896
-------------------------------------
19898
Vector 2 Occ=2.000000E+00 E=-1.134279E+01
19899
MO Center= 2.3E-01, 2.2E+00, -5.9E-01, r^2= 2.7E-02
19900
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
19901
----- ------------ --------------- ----- ------------ ---------------
19904
Vector 3 Occ=2.000000E+00 E=-1.395887E+00
19905
MO Center= -5.8E-01, 1.8E+00, -5.6E-01, r^2= 5.0E-01
19906
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
19907
----- ------------ --------------- ----- ------------ ---------------
19908
2 0.409274 1 O s 3 0.388565 1 O s
19909
17 0.207435 2 C s 19 -0.163872 2 C px
19911
Vector 4 Occ=2.000000E+00 E=-8.542215E-01
19912
MO Center= 1.8E-01, 2.1E+00, -5.8E-01, r^2= 1.4E+00
19913
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
19914
----- ------------ --------------- ----- ------------ ---------------
19915
17 0.355325 2 C s 3 -0.260815 1 O s
19916
18 0.234674 2 C s 31 0.228262 3 H s
19917
36 0.225501 4 H s 2 -0.192084 1 O s
19920
Vector 5 Occ=2.000000E+00 E=-6.768816E-01
19921
MO Center= -2.1E-02, 2.0E+00, -5.8E-01, r^2= 1.3E+00
19922
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
19923
----- ------------ --------------- ----- ------------ ---------------
19924
21 0.368771 2 C pz 6 0.334088 1 O pz
19925
36 -0.235813 4 H s 31 0.233064 3 H s
19928
Vector 6 Occ=2.000000E+00 E=-6.504251E-01
19929
MO Center= -5.0E-01, 1.8E+00, -5.6E-01, r^2= 1.3E+00
19930
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
19931
----- ------------ --------------- ----- ------------ ---------------
19932
4 0.436980 1 O px 19 -0.350896 2 C px
19933
7 0.290095 1 O px 3 -0.254964 1 O s
19934
5 0.203463 1 O py 20 -0.170806 2 C py
19936
Vector 7 Occ=2.000000E+00 E=-5.267257E-01
19937
MO Center= -5.5E-01, 1.8E+00, -5.6E-01, r^2= 9.2E-01
19938
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
19939
----- ------------ --------------- ----- ------------ ---------------
19940
5 0.431563 1 O py 8 0.313169 1 O py
19941
20 0.262823 2 C py 4 -0.192857 1 O px
19942
6 0.182585 1 O pz 23 0.150609 2 C py
19944
Vector 8 Occ=2.000000E+00 E=-4.363206E-01
19945
MO Center= -2.7E-01, 1.9E+00, -5.7E-01, r^2= 1.6E+00
19946
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
19947
----- ------------ --------------- ----- ------------ ---------------
19948
6 0.486194 1 O pz 9 0.408300 1 O pz
19949
31 -0.255508 3 H s 36 0.254849 4 H s
19950
21 -0.216558 2 C pz 5 -0.164211 1 O py
19952
Vector 9 Occ=0.000000E+00 E= 1.468258E-01
19953
MO Center= 4.2E-02, 2.1E+00, -5.8E-01, r^2= 1.7E+00
19954
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
19955
----- ------------ --------------- ----- ------------ ---------------
19956
23 0.584594 2 C py 8 -0.417470 1 O py
19957
20 0.370625 2 C py 5 -0.300427 1 O py
19958
22 -0.275719 2 C px 24 0.250230 2 C pz
19959
7 0.195734 1 O px 9 -0.175794 1 O pz
19960
19 -0.173631 2 C px 21 0.157091 2 C pz
19962
Vector 10 Occ=0.000000E+00 E= 2.233861E-01
19963
MO Center= 9.4E-01, 2.4E+00, -4.5E-01, r^2= 4.0E+00
19964
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
19965
----- ------------ --------------- ----- ------------ ---------------
19966
18 1.913231 2 C s 32 -1.500816 3 H s
19967
37 -1.238366 4 H s 22 0.605874 2 C px
19968
23 0.257308 2 C py 19 0.166066 2 C px
19970
Vector 11 Occ=0.000000E+00 E= 2.911676E-01
19971
MO Center= 9.8E-01, 2.6E+00, -7.9E-01, r^2= 4.1E+00
19972
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
19973
----- ------------ --------------- ----- ------------ ---------------
19974
37 1.929851 4 H s 32 -1.748411 3 H s
19975
24 1.292578 2 C pz 23 -0.448491 2 C py
19976
21 0.340865 2 C pz 9 -0.273181 1 O pz
19979
Vector 12 Occ=0.000000E+00 E= 3.718784E-01
19980
MO Center= 1.1E-01, 2.1E+00, -5.9E-01, r^2= 3.0E+00
19981
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
19982
----- ------------ --------------- ----- ------------ ---------------
19983
3 1.813627 1 O s 22 1.556666 2 C px
19984
18 -1.383257 2 C s 23 0.739521 2 C py
19985
7 0.622619 1 O px 8 0.297687 1 O py
19987
Vector 13 Occ=0.000000E+00 E= 6.835810E-01
19988
MO Center= 6.7E-01, 2.5E+00, -5.6E-01, r^2= 1.7E+00
19989
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
19990
----- ------------ --------------- ----- ------------ ---------------
19991
18 1.047098 2 C s 31 -0.765204 3 H s
19992
36 -0.748062 4 H s 30 -0.297011 2 C dzz
19993
22 0.291475 2 C px 29 0.282347 2 C dyz
19994
23 0.277730 2 C py 17 -0.213904 2 C s
19995
32 0.198273 3 H s 16 -0.195804 2 C s
19997
Vector 14 Occ=0.000000E+00 E= 6.960224E-01
19998
MO Center= 3.0E-01, 2.1E+00, -6.3E-01, r^2= 1.9E+00
19999
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
20000
----- ------------ --------------- ----- ------------ ---------------
20001
23 0.893260 2 C py 20 -0.866237 2 C py
20002
22 -0.458180 2 C px 19 0.400976 2 C px
20003
21 -0.360759 2 C pz 24 0.357354 2 C pz
20005
Vector 15 Occ=0.000000E+00 E= 7.561113E-01
20006
MO Center= 5.1E-02, 2.1E+00, -5.9E-01, r^2= 2.3E+00
20007
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
20008
----- ------------ --------------- ----- ------------ ---------------
20009
24 1.927286 2 C pz 36 0.704957 4 H s
20010
31 -0.692384 3 H s 32 -0.619205 3 H s
20011
23 -0.618460 2 C py 37 0.617342 4 H s
20012
22 0.374151 2 C px 9 -0.324922 1 O pz
20013
6 -0.297099 1 O pz 21 -0.277187 2 C pz
20015
Vector 16 Occ=0.000000E+00 E= 8.352733E-01
20016
MO Center= 5.5E-01, 2.3E+00, -5.8E-01, r^2= 2.5E+00
20017
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
20018
----- ------------ --------------- ----- ------------ ---------------
20019
24 1.509583 2 C pz 32 -1.501780 3 H s
20020
37 1.452963 4 H s 21 -0.764425 2 C pz
20021
27 0.523992 2 C dxz 23 -0.481617 2 C py
20022
36 -0.363835 4 H s 31 0.351014 3 H s
20023
22 0.325706 2 C px 29 0.265048 2 C dyz
20025
Vector 17 Occ=0.000000E+00 E= 8.937451E-01
20026
MO Center= -2.5E-02, 2.0E+00, -5.8E-01, r^2= 1.5E+00
20027
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
20028
----- ------------ --------------- ----- ------------ ---------------
20029
22 0.952057 2 C px 19 -0.904017 2 C px
20030
18 0.899888 2 C s 37 -0.527392 4 H s
20031
23 0.476719 2 C py 32 -0.465400 3 H s
20032
20 -0.444627 2 C py 7 -0.419913 1 O px
20033
26 -0.308100 2 C dxy 4 -0.267901 1 O px
20035
Vector 18 Occ=0.000000E+00 E= 9.595733E-01
20036
MO Center= 5.8E-01, 2.3E+00, -6.3E-01, r^2= 2.7E+00
20037
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
20038
----- ------------ --------------- ----- ------------ ---------------
20039
18 4.074912 2 C s 17 -1.676670 2 C s
20040
37 -1.316883 4 H s 32 -1.257279 3 H s
20041
16 -0.786843 2 C s 22 0.482037 2 C px
20042
3 -0.455447 1 O s 28 -0.288297 2 C dyy
20043
30 -0.240994 2 C dzz 23 0.238149 2 C py
20048
x = -0.59858152 y = 3.58514388 z = -1.07153467
20050
moments of inertia (a.u.)
20052
15.135652855949 -18.084462512728 0.483824480413
20053
-18.084462512728 44.145863713495 2.587219715456
20054
0.483824480413 2.587219715456 47.975374860785
20056
Mulliken analysis of the total density
20057
--------------------------------------
20059
Atom Charge Shell Charges
20060
----------- ------ -------------------------------------------------------
20061
1 O 8 8.47 2.00 0.83 0.92 2.79 1.90 0.02
20062
2 C 6 5.69 2.00 0.70 0.44 1.82 0.59 0.12
20063
3 H 1 0.93 0.75 0.15 0.03
20064
4 H 1 0.92 0.75 0.13 0.03
20066
Multipole analysis of the density wrt the origin
20067
------------------------------------------------
20069
L x y z total open nuclear
20070
- - - - ----- ---- -------
20071
0 0 0 0 0.000000 0.000000 16.000000
20073
1 1 0 0 1.400849 0.000000 -7.570454
20074
1 0 1 0 0.652536 0.000000 58.331938
20075
1 0 0 1 -0.074580 0.000000 -17.227254
20077
2 2 0 0 -10.036331 0.000000 26.758075
20078
2 1 1 0 4.673593 0.000000 -16.889692
20079
2 1 0 1 -1.468614 0.000000 8.298819
20080
2 0 2 0 -3.684514 0.000000 218.588022
20081
2 0 1 1 -1.062836 0.000000 -65.070952
20082
2 0 0 2 -8.052010 0.000000 24.131582
20084
Nuclear repulsion energy = 31.048422743748599
20085
Bq nuclear interaction energy = 0.10325100298917687
20087
Parallel integral file used 27 records with 0 large values
20089
NWChem Extensible Many-Electron Theory Module
20090
---------------------------------------------
20092
======================================================
20093
This portion of the program was automatically
20094
generated by a Tensor Contraction Engine (TCE).
20095
The development of this portion of the program
20096
and TCE was supported by US Department of Energy,
20097
Office of Science, Office of Basic Energy Science.
20098
TCE is a product of Battelle and PNNL.
20099
Please cite: S.Hirata, J.Phys.Chem.A 107, 9887 (2003).
20100
======================================================
20102
General Information
20103
-------------------
20104
Number of processors : 27
20105
Wavefunction type : Restricted Hartree-Fock
20106
No. of electrons : 16
20107
Alpha electrons : 8
20109
No. of orbitals : 80
20110
Alpha orbitals : 40
20112
Alpha frozen cores : 0
20113
Beta frozen cores : 0
20114
Alpha frozen virtuals : 0
20115
Beta frozen virtuals : 0
20116
Spin multiplicity : singlet
20117
Number of AO functions : 40
20118
Number of AO shells : 18
20119
Use of symmetry is : off
20120
Symmetry adaption is : off
20121
Schwarz screening : 0.00E+00
20123
Correlation Information
20124
-----------------------
20125
Calculation type : Coupled-cluster singles & doubles
20126
Perturbative correction : none
20127
Max iterations : 200
20128
Residual threshold : 0.10E-05
20129
T(0) DIIS level shift : 0.00E+00
20130
L(0) DIIS level shift : 0.00E+00
20131
T(1) DIIS level shift : 0.00E+00
20132
L(1) DIIS level shift : 0.00E+00
20133
T(R) DIIS level shift : 0.00E+00
20134
T(I) DIIS level shift : 0.00E+00
20135
CC-T/L Amplitude update : 5-th order DIIS
20136
I/O scheme : Global Array Library
20140
Available GA space size is 2654059007 doubles
20141
Available MA space size is 49129373 doubles
20143
Maximum block size supplied by input
20144
Maximum block size 12 doubles
20148
Block Spin Irrep Size Offset Alpha
20149
-------------------------------------------------
20150
1 alpha a 8 doubles 0 1
20151
2 beta a 8 doubles 8 1
20152
3 alpha a 10 doubles 16 3
20153
4 alpha a 11 doubles 26 4
20154
5 alpha a 11 doubles 37 5
20155
6 beta a 10 doubles 48 3
20156
7 beta a 11 doubles 58 4
20157
8 beta a 11 doubles 69 5
20159
Global array virtual files algorithm will be used
20161
Parallel file system coherency ......... OK
20163
#quartets = 1.471E+04 #integrals = 3.752E+05 #direct = 0.0% #cached =100.0%
20166
Integral file = /scratch/fmd.aoints.00
20167
Record size in doubles = 65536 No. of integs per rec = 43688
20168
Max. records in memory = 2 Max. records in file = 225827
20169
No. of bits per label = 8 No. of bits per value = 64
20172
File balance: exchanges= 0 moved= 0 time= 0.0
20175
Fock matrix recomputed
20176
1-e file size = 1600
20177
1-e file name = /scratch/fmd.f1
20178
1-e file handle = -993
20179
Cpu & wall time / sec 0.1 0.2
20181
2-e (intermediate) file size = 5769600
20182
2-e (intermediate) file name = /scratch/fmd.v2i
20183
Cpu & wall time / sec 0.1 0.1
20185
2-e file size = 3566009
20186
2-e file name = /scratch/fmd.v2
20187
2-e file handle = -991
20188
Cpu & wall time / sec 0.1 0.1
20191
t1 file name = /scratch/fmd.t1
20192
t1 file handle = -992
20193
Cpu & wall time / sec 0.0
20194
before tce_guess_t2
20197
t2 file size = 109248
20198
t2 file name = /scratch/fmd.t2
20199
t2 file handle = -989
20200
Cpu & wall time / sec 0.0
20203
-----------------------------------------------------------------
20204
Iter Residuum Correlation Cpu Wall V2*C2
20205
-----------------------------------------------------------------
20206
1 0.1517352358825 -0.3227624914423 0.1 0.2 0.0
20207
2 0.0553081872734 -0.3256258263327 0.2 0.2 0.0
20208
3 0.0173765882477 -0.3360962439537 0.2 0.2 0.0
20209
4 0.0105544643674 -0.3366302526956 0.2 0.2 0.0
20210
5 0.0044782028273 -0.3378657106575 0.2 0.2 0.0
20211
MICROCYCLE DIIS UPDATE: 5 5
20212
6 0.0016798275029 -0.3382923420131 0.2 0.2 0.0
20213
7 0.0007072774720 -0.3384022478407 0.2 0.2 0.0
20214
8 0.0003972698611 -0.3384060043683 0.2 0.2 0.0
20215
9 0.0002216099010 -0.3384103907335 0.2 0.2 0.0
20216
10 0.0001327668317 -0.3384155366540 0.2 0.2 0.0
20217
MICROCYCLE DIIS UPDATE: 10 5
20218
11 0.0000239827795 -0.3384221703530 0.2 0.2 0.0
20219
12 0.0000134223928 -0.3384227272522 0.2 0.2 0.0
20220
13 0.0000091768629 -0.3384237433863 0.2 0.2 0.0
20221
14 0.0000069593334 -0.3384237965395 0.2 0.2 0.0
20222
15 0.0000053509455 -0.3384239186249 0.2 0.2 0.0
20223
MICROCYCLE DIIS UPDATE: 15 5
20224
16 0.0000011699982 -0.3384239103120 0.2 0.2 0.0
20225
17 0.0000005989768 -0.3384240012031 0.2 0.2 0.0
20226
-----------------------------------------------------------------
20227
Iterations converged
20228
CCSD correlation energy / hartree = -0.338424001203123
20229
CCSD total energy / hartree = -114.253240818119878
20231
Singles contributions
20233
Doubles contributions
20234
9a (alpha) 9a (beta ) --- 7a (alpha) 7a (beta ) -0.1173714846
20236
CCSD Lambda iterations
20237
--------------------------------------
20238
Iter Residuum Cpu Wall
20239
--------------------------------------
20240
1 1.6754005622630 0.5 0.6
20241
2 0.0293398662540 0.5 0.6
20242
3 0.0031845970768 0.5 0.6
20243
4 0.0003680621187 0.5 0.6
20244
5 0.0001070380214 0.5 0.6
20245
MICROCYCLE DIIS UPDATE: 5 5
20246
6 0.0000239975832 0.5 0.6
20247
7 0.0000046388632 0.4 0.6
20248
8 0.0000014912589 0.5 0.6
20249
9 0.0000004839241 0.5 0.6
20250
--------------------------------------
20251
Iterations converged
20253
MO Z-VEC iterations
20254
--------------------------------------
20255
Iter Residuum Cpu Wall
20256
--------------------------------------
20257
1 0.0234899626423 0.0 0.0
20258
2 0.0076595001291 0.0 0.0
20259
3 0.0030615310948 0.0 0.0
20260
4 0.0027694806673 0.0 0.0
20261
5 0.0017253412408 0.0 0.0
20262
MICROCYCLE DIIS UPDATE: 5 5
20263
6 0.0003202862555 0.0 0.0
20264
7 0.0001727840467 0.0 0.0
20265
8 0.0000813617182 0.0 0.0
20266
9 0.0000692439346 0.0 0.0
20267
10 0.0000366962316 0.0 0.0
20268
MICROCYCLE DIIS UPDATE: 10 5
20269
11 0.0000046596135 0.0 0.0
20270
12 0.0000023192908 0.0 0.0
20271
13 0.0000011630582 0.0 0.0
20272
14 0.0000009797388 0.0 0.0
20273
--------------------------------------
20274
Iterations converged
20276
NWChem Gradients Module
20277
-----------------------
20281
wavefunction = TCE RHF CCSD
20285
ccsd ENERGY GRADIENTS
20287
atom coordinates gradient
20289
1 O -1.632165 3.087121 -1.028397 0.013159 0.001934 0.002535
20290
2 C 0.438895 4.084594 -1.115014 -0.000411 -0.000086 0.000367
20291
3 H 1.757938 4.021825 0.509816 -0.000215 0.000071 -0.000127
20292
4 H 1.095558 5.105584 -2.819810 -0.000838 0.000441 0.000281
20294
----------------------------------------
20295
| Time | 1-e(secs) | 2-e(secs) |
20296
----------------------------------------
20297
| CPU | 0.14 | 0.13 |
20298
----------------------------------------
20299
| WALL | 0.15 | 0.14 |
20300
----------------------------------------
20302
Parallel integral file used 27 records with 0 large values
20304
Bq nuclear interaction energy = 0.10325100298917687
20305
------------------------------------------------------------------------
20307
------------------------------------------------------------------------
20308
quantum energy -114.253240818 (-.299972E+06 kjoule/mol)
20309
quantum energy adjusted -114.253240818 (-.299972E+06 kjoule/mol)
20310
quantum energy internal -114.356491821 (-.300243E+06 kjoule/mol)
20311
Bq-nuclear energy 0.103251003 (0.271086E+03 kjoule/mol)
20312
Bq-electron energy 0.000000000 (0.000000E+00 kjoule/mol)
20313
classical energy -7.460614831 (-.195878E+05 kjoule/mol)
20314
total qmmm energy -121.713855649 (-.319560E+06 kjoule/mol)
20315
------------------------------------------------------------------------
20318
At iterate 1 f= -1.21714E+02 |proj g|= 2.07515E-04
20320
@ Step Energy Delta E Gmax Grms Xrms Xmax Walltime
20321
@ ---- ---------------- -------- -------- -------- -------- -------- --------
20322
@ 1 -121.71385565 -1.2E+02 0.00021 0.00010 0.00015 0.00025 817.4
20326
@ Optimizing mm region with sd
20327
@ and esp fitted charges for the qm region
20330
@ Step Energy Delta E SGrms WGrms Xmax
20331
@ ---- ---------------- -------- -------- -------- --------
20332
Total number of active Bq charges 1083
20333
frozen_density,esp T T
20334
redoing esp charges
20335
NWChem Property Module
20336
----------------------
20339
Total number of active Bq charges 1083
20340
frozen_density,esp T T
20341
disabling frozen_density,esp due to active qm atoms
20347
ao basis = "ao basis"
20354
input vectors = /home/d3p975/codes/nwchem-svn/nwchem/QA/tests/tce_qmmm_ccsd_opt/perm/fmd.movecs
20355
output vectors = /home/d3p975/codes/nwchem-svn/nwchem/QA/tests/tce_qmmm_ccsd_opt/perm/fmd.movecs
20360
Summary of "ao basis" -> "ao basis" (cartesian)
20361
------------------------------------------------------------------------------
20362
Tag Description Shells Functions and Types
20363
---------------- ------------------------------ ------ ---------------------
20364
O cc-pVDZ 6 15 3s2p1d
20365
C cc-pVDZ 6 15 3s2p1d
20370
The SCF is already converged
20372
Total SCF energy = -113.914816816917
20374
NWChem Extensible Many-Electron Theory Module
20375
---------------------------------------------
20377
======================================================
20378
This portion of the program was automatically
20379
generated by a Tensor Contraction Engine (TCE).
20380
The development of this portion of the program
20381
and TCE was supported by US Department of Energy,
20382
Office of Science, Office of Basic Energy Science.
20383
TCE is a product of Battelle and PNNL.
20384
Please cite: S.Hirata, J.Phys.Chem.A 107, 9887 (2003).
20385
======================================================
20387
General Information
20388
-------------------
20389
Number of processors : 27
20390
Wavefunction type : Restricted Hartree-Fock
20391
No. of electrons : 16
20392
Alpha electrons : 8
20394
No. of orbitals : 80
20395
Alpha orbitals : 40
20397
Alpha frozen cores : 0
20398
Beta frozen cores : 0
20399
Alpha frozen virtuals : 0
20400
Beta frozen virtuals : 0
20401
Spin multiplicity : singlet
20402
Number of AO functions : 40
20403
Number of AO shells : 18
20404
Use of symmetry is : off
20405
Symmetry adaption is : off
20406
Schwarz screening : 0.00E+00
20408
Correlation Information
20409
-----------------------
20410
Calculation type : Coupled-cluster singles & doubles
20411
Perturbative correction : none
20412
Max iterations : 200
20413
Residual threshold : 0.10E-05
20414
T(0) DIIS level shift : 0.00E+00
20415
L(0) DIIS level shift : 0.00E+00
20416
T(1) DIIS level shift : 0.00E+00
20417
L(1) DIIS level shift : 0.00E+00
20418
T(R) DIIS level shift : 0.00E+00
20419
T(I) DIIS level shift : 0.00E+00
20420
CC-T/L Amplitude update : 5-th order DIIS
20421
I/O scheme : Global Array Library
20425
Available GA space size is 2654059007 doubles
20426
Available MA space size is 49124622 doubles
20428
Maximum block size supplied by input
20429
Maximum block size 12 doubles
20433
Block Spin Irrep Size Offset Alpha
20434
-------------------------------------------------
20435
1 alpha a 8 doubles 0 1
20436
2 beta a 8 doubles 8 1
20437
3 alpha a 10 doubles 16 3
20438
4 alpha a 11 doubles 26 4
20439
5 alpha a 11 doubles 37 5
20440
6 beta a 10 doubles 48 3
20441
7 beta a 11 doubles 58 4
20442
8 beta a 11 doubles 69 5
20444
Global array virtual files algorithm will be used
20446
Parallel file system coherency ......... OK
20448
#quartets = 1.471E+04 #integrals = 3.752E+05 #direct = 0.0% #cached =100.0%
20451
Integral file = /scratch/fmd.aoints.00
20452
Record size in doubles = 65536 No. of integs per rec = 43688
20453
Max. records in memory = 2 Max. records in file = 225827
20454
No. of bits per label = 8 No. of bits per value = 64
20457
File balance: exchanges= 0 moved= 0 time= 0.0
20460
Fock matrix recomputed
20461
1-e file size = 1600
20462
1-e file name = /scratch/fmd.f1
20463
Cpu & wall time / sec 0.1 0.1
20466
half-transformed integrals in memory
20468
2-e (intermediate) file size = 5769600
20469
2-e (intermediate) file name = /scratch/fmd.v2i
20470
Cpu & wall time / sec 0.1 0.1
20473
2-e integrals stored in memory
20475
2-e file size = 3566009
20476
2-e file name = /scratch/fmd.v2
20477
Cpu & wall time / sec 0.1 0.1
20478
T1-number-of-tasks 3
20481
t1 file name = /scratch/fmd.t1
20482
t1 file handle = -992
20483
T2-number-of-boxes 15
20485
t2 file size = 109248
20486
t2 file name = /scratch/fmd.t2
20487
t2 file handle = -989
20490
-----------------------------------------------------------------
20491
Iter Residuum Correlation Cpu Wall V2*C2
20492
-----------------------------------------------------------------
20493
1 0.1629893912841 -0.3297874943040 0.1 0.2 0.0
20494
2 0.0440924615017 -0.3404859466770 0.2 0.2 0.0
20495
3 0.0196259630325 -0.3478128008830 0.2 0.2 0.0
20496
4 0.0091662740448 -0.3498329664791 0.2 0.2 0.0
20497
5 0.0050107752499 -0.3507277330715 0.2 0.2 0.0
20498
MICROCYCLE DIIS UPDATE: 5 5
20499
6 0.0012033739939 -0.3514479121237 0.2 0.2 0.0
20500
7 0.0004804421856 -0.3515942227724 0.2 0.2 0.0
20501
8 0.0002528767751 -0.3515710559510 0.2 0.2 0.0
20502
9 0.0001431225782 -0.3515796428648 0.1 0.2 0.0
20503
10 0.0000903425144 -0.3515795893522 0.1 0.2 0.0
20504
MICROCYCLE DIIS UPDATE: 10 5
20505
11 0.0000338664048 -0.3515847659128 0.2 0.2 0.0
20506
12 0.0000235416238 -0.3515847761930 0.2 0.2 0.0
20507
13 0.0000184006713 -0.3515851191978 0.2 0.2 0.0
20508
14 0.0000147436347 -0.3515851176336 0.2 0.2 0.0
20509
15 0.0000118310465 -0.3515850930469 0.2 0.2 0.0
20510
MICROCYCLE DIIS UPDATE: 15 5
20511
16 0.0000015588671 -0.3515847893884 0.2 0.2 0.0
20512
17 0.0000006751543 -0.3515850350618 0.2 0.2 0.0
20513
-----------------------------------------------------------------
20514
Iterations converged
20515
CCSD correlation energy / hartree = -0.351585035061752
20516
CCSD total energy / hartree = -114.266401851978500
20518
Singles contributions
20519
9a (alpha) --- 7a (alpha) 0.1041195978
20521
Doubles contributions
20522
9a (alpha) 9a (beta ) --- 7a (alpha) 7a (beta ) -0.1320406353
20524
Parallel integral file used 27 records with 0 large values
20526
------------------------------------------------------------------------
20528
------------------------------------------------------------------------
20529
quantum energy -114.266401852 (-.300006E+06 kjoule/mol)
20530
quantum energy adjusted -114.266401852 (-.300006E+06 kjoule/mol)
20531
classical energy -7.460614831 (-.195878E+05 kjoule/mol)
20532
total qmmm energy -121.727016683 (-.319594E+06 kjoule/mol)
20533
------------------------------------------------------------------------
20536
---------------------------------------------
20537
Electrostatic potential/diamagnetic shielding
20538
---------------------------------------------
20540
1 a.u. = 9.07618 esu/cm ( or statvolts )
20541
Point X Y Z Total Potential(a.u.) Diamagnetic shielding(a.u.)
20542
1 pt -10.84723 -20.95205 -11.78144 -0.001043 0.557458
20543
2 pt -9.86955 -19.74674 -10.70327 -0.001174 0.594243
20544
3 pt -12.23975 -21.72294 -10.76278 -0.001040 0.541876
20545
4 pt -13.12430 -10.66219 -18.89844 -0.001207 0.613893
20546
5 pt -13.17479 -12.55121 -18.91046 -0.001118 0.588771
20547
6 pt -11.56402 -10.06708 -19.78300 -0.001133 0.623517
20548
7 pt -16.79698 -8.14739 -16.53412 -0.001513 0.632358
20549
8 pt -17.27883 -9.23444 -15.06538 -0.001593 0.632790
20550
9 pt -15.30716 -8.90378 -17.41696 -0.001424 0.632087
20551
10 pt -17.30897 -10.90329 -12.00970 -0.001785 0.648116
20552
11 pt -18.50874 -9.94796 -10.90563 -0.001888 0.652626
20553
12 pt -16.21978 -12.01826 -10.94126 -0.001851 0.661211
20554
13 pt -12.84229 -7.70712 -11.71752 -0.002571 0.808895
20555
14 pt -11.59319 -8.74066 -10.74664 -0.002706 0.835264
20556
15 pt -14.34453 -8.77081 -12.14520 -0.002216 0.742134
20557
16 pt -16.85205 -17.68010 -11.06739 -0.001284 0.559571
20558
17 pt -15.76931 -16.30360 -10.35749 -0.001473 0.599192
20559
18 pt -18.60008 -17.53383 -10.36448 -0.001276 0.546362
20560
19 pt -7.79410 -18.14783 -8.64777 -0.001401 0.662514
20561
20 pt -7.25183 -19.87406 -8.10265 -0.001222 0.629525
20562
21 pt -7.82012 -16.99301 -7.15218 -0.001649 0.705654
20563
22 pt -14.30789 -19.61047 -15.39045 -0.000976 0.523834
20564
23 pt -12.76606 -20.03958 -14.38561 -0.000997 0.537713
20565
24 pt -15.61427 -18.85789 -14.25112 -0.001066 0.531983
20566
25 pt -9.64832 -10.74055 -8.91995 -0.002739 0.855952
20567
26 pt -9.72122 -10.58855 -7.03775 -0.003141 0.894241
20568
27 pt -7.84570 -10.70875 -9.48617 -0.002637 0.882579
20569
28 pt -14.24333 -13.62735 -8.86931 -0.001961 0.686039
20570
29 pt -14.63664 -13.92469 -7.04504 -0.002042 0.688618
20571
30 pt -12.50957 -12.89284 -9.02938 -0.002150 0.732261
20572
31 pt 4.17236 -20.91808 -8.89512 -0.000398 0.610427
20573
32 pt 5.42299 -22.28335 -8.51689 -0.000307 0.579036
20574
33 pt 3.29184 -21.30219 -10.52246 -0.000424 0.593604
20575
34 pt 4.77666 -17.49379 -15.08387 -0.000242 0.617176
20576
35 pt 6.09923 -17.11459 -13.78845 -0.000158 0.633687
20577
36 pt 4.17904 -19.27408 -14.87300 -0.000294 0.588783
20578
37 pt -4.46367 -10.02339 -10.08089 -0.002379 0.951355
20579
38 pt -3.35374 -11.34455 -10.85140 -0.001798 0.883459
20580
39 pt -3.47826 -9.03696 -8.80535 -0.002795 1.057396
20581
40 pt -1.01915 -20.36333 -12.13301 -0.000690 0.605330
20582
41 pt -1.27340 -21.50243 -13.61924 -0.000611 0.569275
20583
42 pt -1.11262 -21.37482 -10.53952 -0.000706 0.598160
20584
43 pt -0.08715 -17.77606 -20.87778 -0.000391 0.548330
20585
44 pt -0.21104 -18.93210 -19.38805 -0.000430 0.550315
20586
45 pt 0.74838 -18.68106 -22.31094 -0.000311 0.518743
20587
46 pt 4.93314 -8.49329 -13.92388 0.000121 0.863025
20588
47 pt 3.82290 -9.85485 -14.62000 -0.000161 0.814450
20589
48 pt 4.25571 -6.80447 -14.43384 0.000168 0.905829
20590
49 pt 7.03822 -16.37428 -19.51719 -0.000030 0.565968
20591
50 pt 6.72082 -17.79075 -20.72712 -0.000064 0.533574
20592
51 pt 6.03644 -16.65550 -17.93972 -0.000104 0.587926
20593
52 pt -4.71593 -16.93542 -12.62987 -0.001106 0.667938
20594
53 pt -3.37894 -18.26962 -12.57116 -0.000930 0.642600
20595
54 pt -5.96767 -17.23525 -11.24629 -0.001251 0.671438
20596
55 pt -4.53578 -11.35453 -20.77149 -0.000728 0.637969
20597
56 pt -4.98153 -12.25793 -19.17266 -0.000857 0.653175
20598
57 pt -3.82525 -12.58688 -22.01547 -0.000590 0.599244
20599
58 pt -0.95776 -13.55464 -11.75498 -0.001084 0.789890
20600
59 pt 0.47151 -14.29958 -10.76843 -0.000913 0.783138
20601
60 pt -2.27348 -14.87725 -12.05610 -0.001117 0.740742
20602
61 pt 2.07893 -12.46034 -15.73872 -0.000435 0.728700
20603
62 pt 2.94442 -14.11607 -16.02249 -0.000345 0.681109
20604
63 pt 0.77919 -12.65242 -14.38047 -0.000673 0.758438
20605
64 pt -6.00154 -13.76487 -16.51291 -0.001084 0.669742
20606
65 pt -7.05932 -12.50394 -15.58434 -0.001326 0.706369
20607
66 pt -5.38350 -15.08092 -15.30580 -0.001073 0.666629
20608
67 pt 7.22251 -11.46512 -21.36664 0.000126 0.604134
20609
68 pt 7.28986 -13.27497 -20.82723 0.000070 0.588660
20610
69 pt 5.42113 -10.94074 -21.59271 0.000031 0.617987
20611
70 pt 3.25647 -15.52294 -9.20442 -0.000557 0.755415
20612
71 pt 3.17873 -17.38271 -8.87843 -0.000545 0.703405
20613
72 pt 4.99113 -15.05733 -9.79199 -0.000304 0.748216
20614
73 pt 0.15300 -9.35987 -19.53027 -0.000428 0.707783
20615
74 pt -1.61597 -9.88573 -19.93682 -0.000580 0.688159
20616
75 pt 0.85424 -10.48958 -18.18749 -0.000437 0.718859
20617
76 pt -0.87107 -7.57185 -7.14328 -0.002831 1.252152
20618
77 pt 0.40400 -6.36167 -7.83664 -0.002077 1.316201
20619
78 pt 0.00403 -9.13609 -6.54459 -0.002131 1.148182
20620
79 pt 8.90603 -16.16124 -12.07932 0.000077 0.651227
20621
80 pt 10.06345 -16.80113 -13.42913 0.000125 0.611732
20622
81 pt 9.41688 -16.89020 -10.41238 0.000082 0.648348
20623
82 pt 15.56931 -12.16173 -16.15774 0.000566 0.589069
20624
83 pt 13.87597 -11.50904 -15.63078 0.000583 0.627412
20625
84 pt 15.38861 -13.18072 -17.73890 0.000459 0.560310
20626
85 pt 10.46904 -9.04921 -18.18005 0.000523 0.666631
20627
86 pt 10.20630 -9.86870 -16.49765 0.000510 0.690364
20628
87 pt 9.37500 -9.89185 -19.47005 0.000361 0.642015
20629
88 pt 11.63256 -16.92690 -16.83805 0.000180 0.558470
20630
89 pt 12.95383 -16.38644 -18.07628 0.000238 0.541414
20631
90 pt 9.94403 -16.94836 -17.68627 0.000100 0.561877
20632
91 pt 9.45733 -11.17968 -13.70330 0.000435 0.729976
20633
92 pt 7.78452 -10.30612 -13.60496 0.000357 0.778664
20634
93 pt 9.29333 -12.93519 -13.02334 0.000290 0.704669
20635
94 pt 14.57351 -7.01191 -9.89823 0.001444 0.780253
20636
95 pt 13.92514 -8.75872 -9.58309 0.001180 0.765958
20637
96 pt 13.16651 -5.92158 -10.53275 0.001612 0.832269
20638
97 pt 14.52073 -14.46193 -8.29747 0.000556 0.649006
20639
98 pt 14.24147 -13.15413 -6.96228 0.000693 0.690910
20640
99 pt 13.17916 -15.78700 -8.17317 0.000395 0.644047
20641
100 pt 15.52348 -19.18551 -13.76149 0.000254 0.521580
20642
101 pt 16.42369 -17.59041 -13.29636 0.000348 0.536657
20643
102 pt 14.11816 -18.79000 -14.96138 0.000218 0.529848
20644
103 pt 17.80980 -14.69130 -12.22451 0.000546 0.566395
20645
104 pt 16.67760 -14.52180 -10.72103 0.000567 0.596147
20646
105 pt 17.13731 -13.63882 -13.64264 0.000570 0.576615
20647
106 pt -17.30093 3.37275 -20.58380 -0.001094 0.622225
20648
107 pt -16.62420 2.25018 -19.22257 -0.001294 0.659050
20649
108 pt -16.62173 2.81554 -22.25690 -0.000955 0.601424
20650
109 pt -7.95546 -4.07306 -19.46212 -0.001214 0.752042
20651
110 pt -6.18604 -3.60034 -18.99653 -0.001146 0.794205
20652
111 pt -9.00309 -4.21655 -17.89594 -0.001546 0.784429
20653
112 pt -10.24997 -4.43797 -14.87327 -0.002287 0.856419
20654
113 pt -11.59767 -5.53853 -14.13600 -0.002353 0.825419
20655
114 pt -8.61824 -4.74922 -13.97235 -0.002526 0.921794
20656
115 pt -12.87222 5.50573 -13.37261 -0.002374 0.913733
20657
116 pt -11.97015 3.85527 -13.55515 -0.002600 0.945903
20658
117 pt -14.43304 5.26041 -12.33593 -0.002560 0.891822
20659
118 pt -13.27301 -3.61429 -8.55494 -0.004189 0.977217
20660
119 pt -13.17242 -4.99406 -9.84226 -0.003494 0.910845
20661
120 pt -11.68927 -2.58475 -8.60847 -0.004980 1.084900
20662
121 pt -15.46702 0.10534 -17.21925 -0.001676 0.719149
20663
122 pt -14.68220 -0.01149 -15.50418 -0.002056 0.780309
20664
123 pt -16.81976 -1.20379 -17.38461 -0.001594 0.680251
20665
124 pt -8.46727 -1.50306 -9.49301 -0.005787 1.269399
20666
125 pt -7.00354 -0.32039 -9.32024 -0.006661 1.432922
20667
126 pt -7.86071 -3.16485 -10.15752 -0.004793 1.188293
20668
127 pt -10.80320 2.83236 -18.58698 -0.001356 0.787422
20669
128 pt -12.46320 1.98570 -18.90102 -0.001385 0.743923
20670
129 pt -10.22103 2.44779 -16.83077 -0.001734 0.863286
20671
130 pt -18.93772 -4.42331 -13.32449 -0.001950 0.681578
20672
131 pt -20.71119 -4.99159 -13.00365 -0.001786 0.642086
20673
132 pt -18.12737 -5.56876 -14.59032 -0.001802 0.667541
20674
133 pt -21.03745 2.75887 -16.81039 -0.001368 0.619394
20675
134 pt -20.11614 3.10194 -18.42425 -0.001242 0.611963
20676
135 pt -21.15693 0.89292 -16.53647 -0.001427 0.618093
20677
136 pt -19.60624 -0.61453 -9.83695 -0.002483 0.749433
20678
137 pt -21.45549 -0.39894 -10.16079 -0.002125 0.692578
20679
138 pt -18.91460 -1.94316 -10.98910 -0.002397 0.742361
20680
139 pt -19.79800 -2.65696 -19.03412 -0.001259 0.591589
20681
140 pt -18.76455 -3.87748 -20.04078 -0.001190 0.585455
20682
141 pt -21.29636 -3.54918 -18.30616 -0.001255 0.573811
20683
142 pt -17.01946 3.90993 -10.52095 -0.002737 0.843937
20684
143 pt -18.20278 5.00402 -11.50775 -0.002240 0.779333
20685
144 pt -17.85587 2.25864 -10.14053 -0.002752 0.818619
20686
145 pt -10.73109 0.64358 -13.77880 -0.002840 0.967279
20687
146 pt -10.66490 -1.09405 -14.51861 -0.002563 0.916235
20688
147 pt -10.09642 0.59636 -11.99947 -0.003779 1.080868
20689
148 pt -19.96419 6.69708 -13.78257 -0.001591 0.683878
20690
149 pt -21.04508 8.20050 -14.15999 -0.001373 0.646790
20691
150 pt -20.57726 5.21309 -14.77906 -0.001521 0.658283
20692
151 pt 4.27648 3.52693 -17.96847 0.001273 0.909318
20693
152 pt 4.91579 3.51723 -19.74674 0.001054 0.821401
20694
153 pt 3.52393 5.21573 -17.57773 0.001396 0.935861
20695
154 pt -6.17639 -5.55570 -12.02476 -0.003000 1.041915
20696
155 pt -5.82559 -7.30894 -11.41308 -0.002814 1.003508
20697
156 pt -4.59383 -4.52703 -11.93318 -0.002963 1.128202
20698
157 pt -4.11778 1.33637 -9.68471 -0.005580 1.661491
20699
158 pt -3.55475 2.67921 -10.88922 -0.003120 1.545019
20700
159 pt -4.23005 2.05866 -7.94208 -0.009659 2.007060
20701
160 pt 3.59837 0.72647 -11.24336 0.002737 1.402078
20702
161 pt 5.14808 1.53402 -11.96263 0.003270 1.280159
20703
162 pt 2.27550 2.04491 -10.95562 0.002847 1.530626
20704
163 pt -2.21718 4.79677 -13.03886 -0.000241 1.313002
20705
164 pt -3.42343 6.18759 -13.46507 -0.000489 1.228805
20706
165 pt -0.66165 5.52897 -12.25447 0.001246 1.404795
20707
166 pt 3.82600 -3.32823 -15.07553 0.000549 0.982779
20708
167 pt 2.42128 -2.87034 -16.25373 0.000221 0.951252
20709
168 pt 3.92600 -2.05099 -13.68639 0.000995 1.096848
20710
169 pt -0.09186 1.19597 -16.39151 0.000090 1.028468
20711
170 pt 1.54227 1.93467 -16.98733 0.000648 0.989081
20712
171 pt -0.97579 2.43802 -15.27480 -0.000036 1.118858
20713
172 pt -1.95645 -2.89933 -11.69133 -0.002245 1.271395
20714
173 pt -0.31648 -3.32067 -10.85224 -0.001600 1.327300
20715
174 pt -2.61636 -1.26774 -11.00322 -0.003078 1.415444
20716
175 pt 2.61901 -3.73649 -8.93676 0.000215 1.415070
20717
176 pt 3.02703 -2.04168 -9.66628 0.001319 1.458086
20718
177 pt 4.17402 -4.81023 -8.92717 0.000783 1.277124
20719
178 pt -3.13454 -2.75175 -17.46253 -0.000955 0.898665
20720
179 pt -2.18429 -1.14366 -17.17597 -0.000704 0.946302
20721
180 pt -3.14016 -3.77319 -15.87266 -0.001285 0.953743
20722
181 pt -2.37331 5.77742 -19.79274 0.000061 0.843806
20723
182 pt -0.86921 6.26141 -18.75615 0.000421 0.893239
20724
183 pt -3.65335 7.16636 -19.73412 -0.000048 0.830026
20725
184 pt 17.61826 2.77546 -20.84224 0.001145 0.595775
20726
185 pt 17.37528 1.75654 -19.26940 0.001263 0.624915
20727
186 pt 18.63192 1.78021 -22.08845 0.000988 0.561248
20728
187 pt 8.87647 -4.30943 -16.48300 0.001014 0.809707
20729
188 pt 9.17521 -6.03990 -17.18106 0.000766 0.755296
20730
189 pt 7.02399 -4.04755 -16.21692 0.000897 0.859052
20731
190 pt 18.69807 -5.45650 -12.56865 0.001291 0.661401
20732
191 pt 18.43453 -5.72218 -14.42096 0.001148 0.639395
20733
192 pt 17.29827 -6.28520 -11.60694 0.001330 0.696256
20734
193 pt 6.85501 -6.63346 -9.49675 0.001043 1.048826
20735
194 pt 8.36015 -5.61880 -10.02219 0.001556 1.019340
20736
195 pt 6.14762 -7.53679 -10.99830 0.000565 0.974319
20737
196 pt 7.28606 3.21664 -13.81085 0.002967 1.068955
20738
197 pt 7.94021 4.98920 -13.77607 0.003242 1.043520
20739
198 pt 6.28510 2.94439 -15.39042 0.002182 1.006485
20740
199 pt 18.09287 -0.64846 -10.51917 0.002061 0.750685
20741
200 pt 16.96801 0.45206 -11.56540 0.002196 0.774966
20742
201 pt 18.10760 -2.39731 -11.23497 0.001776 0.724848
20743
202 pt 16.49243 -0.69587 -17.13454 0.001383 0.671952
20744
203 pt 14.82802 -0.98991 -17.97973 0.001313 0.686134
20745
204 pt 17.49224 -2.29944 -17.13485 0.001232 0.643301
20746
205 pt 18.34755 3.21852 -7.00221 0.002846 0.809589
20747
206 pt 18.15791 1.76321 -8.19266 0.002610 0.797322
20748
207 pt 17.55067 4.75766 -7.75528 0.003061 0.830079
20749
208 pt 14.37975 -6.41974 -20.43671 0.000723 0.604913
20750
209 pt 13.11043 -7.60424 -19.69050 0.000660 0.622624
20751
210 pt 13.63116 -4.68904 -20.56068 0.000810 0.627196
20752
211 pt 18.69242 -5.53021 -17.80981 0.000937 0.590368
20753
212 pt 19.60333 -7.17959 -17.66544 0.000834 0.566188
20754
213 pt 17.14996 -5.75273 -18.87863 0.000873 0.596792
20755
214 pt 15.32871 2.62861 -13.27352 0.002336 0.798867
20756
215 pt 15.60764 4.48033 -13.52732 0.002374 0.784692
20757
216 pt 15.75375 1.70256 -14.86501 0.001922 0.746689
20758
217 pt 12.13377 -1.76044 -19.54096 0.001080 0.693974
20759
218 pt 11.31598 -0.49592 -20.68258 0.001033 0.686677
20760
219 pt 10.83339 -2.50463 -18.38934 0.001110 0.739743
20761
220 pt 10.79348 -4.03850 -11.69169 0.001877 0.922119
20762
221 pt 10.24394 -4.17550 -13.49454 0.001524 0.877223
20763
222 pt 10.91581 -2.21632 -11.20610 0.002467 0.975854
20764
223 pt 10.94455 1.05125 -10.90194 0.003503 1.043373
20765
224 pt 12.62008 1.70127 -11.48599 0.003110 0.947678
20766
225 pt 9.57066 1.81774 -11.94884 0.003460 1.069229
20767
226 pt -20.51211 13.56484 -11.32196 -0.001175 0.651646
20768
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1015 pt -0.48096 9.94792 16.49141 0.000375 0.855188
21557
1016 pt -1.63715 8.87621 15.44943 0.000112 0.918667
21558
1017 pt -1.23474 11.66782 16.70313 0.000331 0.817720
21559
1018 pt 3.68073 8.66125 10.59626 0.002896 1.192490
21560
1019 pt 3.34555 7.55119 12.08840 0.002033 1.118624
21561
1020 pt 4.73090 10.13819 11.13185 0.002745 1.079508
21562
1021 pt -1.30133 18.55492 10.05201 0.000991 0.856106
21563
1022 pt -1.82918 17.95007 8.34128 0.001098 0.927463
21564
1023 pt -2.56977 17.99795 11.33727 0.000659 0.835323
21565
1024 pt -2.85348 14.51689 16.98705 0.000218 0.752510
21566
1025 pt -3.94519 15.24942 15.62962 0.000147 0.773615
21567
1026 pt -3.85796 14.34022 18.57792 0.000063 0.705798
21568
1027 pt -3.24105 20.38192 17.67302 0.000292 0.631627
21569
1028 pt -3.66431 19.21288 16.24991 0.000284 0.679152
21570
1029 pt -4.67239 21.58459 17.94859 0.000199 0.603139
21571
1030 pt -5.50452 17.17532 13.19699 0.000079 0.786215
21572
1031 pt -6.44575 15.59294 12.77130 -0.000174 0.829607
21573
1032 pt -6.37051 18.65681 12.40559 0.000054 0.759343
21574
1033 pt -0.02940 6.98843 7.01504 0.002836 1.806921
21575
1034 pt 1.14891 7.71725 8.30014 0.003243 1.535237
21576
1035 pt -1.77530 6.90800 7.73368 -0.000186 1.672637
21577
1036 pt 6.77363 11.90334 13.32147 0.002024 0.881327
21578
1037 pt 5.80172 11.93368 14.94182 0.001557 0.835847
21579
1038 pt 7.65523 13.55778 13.08344 0.001996 0.835816
21580
1039 pt 5.41853 14.45453 19.72900 0.000812 0.660611
21581
1040 pt 4.29088 15.23998 18.43187 0.000854 0.688583
21582
1041 pt 7.21714 14.89356 19.35044 0.000933 0.650425
21583
1042 pt 2.49850 10.30865 20.89700 0.000470 0.689870
21584
1043 pt 3.64088 11.79062 20.63277 0.000609 0.678212
21585
1044 pt 1.29428 10.17384 19.44691 0.000441 0.739027
21586
1045 pt 2.09371 16.12600 16.25693 0.000873 0.741940
21587
1046 pt 2.10748 16.98538 14.57398 0.001039 0.769936
21588
1047 pt 0.33338 15.57742 16.67088 0.000648 0.745850
21589
1048 pt 14.28633 10.91695 9.52734 0.002712 0.816610
21590
1049 pt 13.02180 9.86394 10.45642 0.002750 0.849686
21591
1050 pt 16.02887 10.46101 10.09893 0.002365 0.758860
21592
1051 pt 14.29889 13.47433 16.69262 0.001350 0.636232
21593
1052 pt 15.92982 13.60115 17.63867 0.001209 0.596104
21594
1053 pt 14.47159 14.33509 15.01920 0.001517 0.654061
21595
1054 pt 17.03841 19.26056 9.68544 0.001626 0.619078
21596
1055 pt 18.47325 20.07919 10.60312 0.001418 0.577599
21597
1056 pt 15.79856 20.58105 9.14678 0.001622 0.623824
21598
1057 pt 9.26621 16.36007 13.02087 0.001775 0.748419
21599
1058 pt 11.08685 16.06847 12.60696 0.001855 0.732718
21600
1059 pt 8.92705 18.21738 13.10116 0.001587 0.712906
21601
1060 pt 10.65504 21.05002 19.19417 0.000869 0.551952
21602
1061 pt 10.86232 21.99385 17.57020 0.000944 0.560288
21603
1062 pt 8.92991 21.37181 19.89520 0.000785 0.550362
21604
1063 pt 15.69520 8.39275 16.71257 0.001382 0.652059
21605
1064 pt 17.58460 8.39919 16.74756 0.001308 0.618985
21606
1065 pt 15.05866 10.17176 16.68110 0.001400 0.652720
21607
1066 pt 19.27244 9.98683 10.68193 0.001888 0.670426
21608
1067 pt 19.84426 11.65582 11.35911 0.001707 0.635951
21609
1068 pt 20.29169 8.60385 11.46906 0.001712 0.645432
21610
1069 pt 14.24259 15.54852 11.91663 0.001870 0.695976
21611
1070 pt 14.42128 13.96237 10.90507 0.002150 0.735672
21612
1071 pt 15.37541 16.88251 11.20371 0.001780 0.665104
21613
1072 pt 18.29873 13.25479 20.01464 0.000970 0.535758
21614
1073 pt 18.56623 15.10155 20.31293 0.000920 0.518101
21615
1074 pt 19.95323 12.34986 20.13631 0.000938 0.520383
21616
1075 pt 20.88558 8.61600 16.89172 0.001160 0.563659
21617
1076 pt 21.94355 7.99195 15.45563 0.001223 0.566873
21618
1077 pt 21.96532 9.60164 18.08911 0.001031 0.530833
21619
1078 pt 10.59272 15.77113 19.59746 0.000987 0.605103
21620
1079 pt 10.73962 17.64401 19.39297 0.000959 0.586953
21621
1080 pt 11.68371 14.90919 18.31767 0.001146 0.626176
21622
1081 pt 10.49782 8.34353 11.76116 0.002704 0.911385
21623
1082 pt 11.20179 7.01541 12.90640 0.002302 0.862297
21624
1083 pt 9.29399 9.43500 12.72581 0.002398 0.893573
21627
NWChem Electrostatic Potential Fit Module
21628
-----------------------------------------
21633
Number of atoms is 4
21634
Number of basis functions is 1
21639
Maximum number of grid points is 1083
21640
Number of grid points is 1083
21642
Grid read from /home/d3p975/codes/nwchem-svn/nwchem/QA/tests/tce_qmmm_ccsd_opt/perm/fmd.grid
21651
Atom Coordinates Charge
21656
1 O -0.086 0.163 -0.054 -0.585556
21657
2 C 0.023 0.216 -0.059 0.610044
21658
3 H 0.093 0.213 0.027 -0.011171
21659
4 H 0.058 0.270 -0.149 -0.013316
21663
Dipole moment 1.320106
21665
Quadrupole moment Qxx -0.306062
21669
RMS deviation kJ/mol 0.062983
21671
RMS deviation % 149.941515
21672
using old esp charges
21673
using old esp charges
21674
------------------------------------------------------------------------
21676
------------------------------------------------------------------------
21677
quantum energy -0.038843683 (-.101984E+03 kjoule/mol)
21678
quantum energy adjusted -0.038843683 (-.101984E+03 kjoule/mol)
21679
classical energy -201.436600432 (-.528872E+06 kjoule/mol)
21680
total qmmm energy -201.475444115 (-.528974E+06 kjoule/mol)
21681
------------------------------------------------------------------------
21683
Total number of active Bq charges 1083
21684
frozen_density,esp T T
21685
disabling frozen_density,esp due to active qm atoms
21691
ao basis = "ao basis"
21698
input vectors = /home/d3p975/codes/nwchem-svn/nwchem/QA/tests/tce_qmmm_ccsd_opt/perm/fmd.movecs
21699
output vectors = /home/d3p975/codes/nwchem-svn/nwchem/QA/tests/tce_qmmm_ccsd_opt/perm/fmd.movecs
21704
Summary of "ao basis" -> "ao basis" (cartesian)
21705
------------------------------------------------------------------------------
21706
Tag Description Shells Functions and Types
21707
---------------- ------------------------------ ------ ---------------------
21708
O cc-pVDZ 6 15 3s2p1d
21709
C cc-pVDZ 6 15 3s2p1d
21714
Forming initial guess at 822.4s
21717
Loading old vectors from job with title :
21721
Nuclear repulsion energy = 31.105755561856899
21722
Bq nuclear interaction energy = 0.10264413221057672
21724
Starting SCF solution at 822.4s
21728
----------------------------------------------
21729
Quadratically convergent ROHF
21731
Convergence threshold : 1.000E-10
21732
Maximum no. of iterations : 200
21733
Final Fock-matrix accuracy: 0.000E+00
21734
----------------------------------------------
21737
#quartets = 1.471E+04 #integrals = 3.753E+05 #direct = 0.0% #cached =100.0%
21740
Integral file = /scratch/fmd.aoints.00
21741
Record size in doubles = 65536 No. of integs per rec = 43688
21742
Max. records in memory = 2 Max. records in file = 225827
21743
No. of bits per label = 8 No. of bits per value = 64
21746
File balance: exchanges= 0 moved= 0 time= 0.0
21748
Nuclear repulsion energy = 31.105755561856899
21749
Bq nuclear interaction energy = 0.10264413221057672
21751
iter energy gnorm gmax time
21752
----- ------------------- --------- --------- --------
21753
1 -113.9149192389 9.14E-03 2.52E-03 732.9
21754
Nuclear repulsion energy = 31.105755561856899
21755
Bq nuclear interaction energy = 0.10264413221057672
21756
2 -113.9149256384 3.93E-05 2.14E-05 733.1
21757
Nuclear repulsion energy = 31.105755561856899
21758
Bq nuclear interaction energy = 0.10264413221057672
21759
3 -113.9149256389 1.89E-09 6.24E-10 733.4
21760
Nuclear repulsion energy = 31.105755561856899
21761
Bq nuclear interaction energy = 0.10264413221057672
21762
4 -113.9149256389 9.52E-12 4.98E-12 733.6
21763
Nuclear repulsion energy = 31.105755561856899
21764
Bq nuclear interaction energy = 0.10264413221057672
21770
Total SCF energy = -113.914925638925
21771
One-electron energy = -217.329164842069
21772
Two-electron energy = 72.205839509076
21773
Nuclear repulsion energy = 31.208399694067
21775
Time for solution = 0.8s
21801
ROHF Final Molecular Orbital Analysis
21802
-------------------------------------
21804
Vector 2 Occ=2.000000E+00 E=-1.134208E+01
21805
MO Center= 2.3E-01, 2.2E+00, -5.9E-01, r^2= 2.7E-02
21806
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
21807
----- ------------ --------------- ----- ------------ ---------------
21810
Vector 3 Occ=2.000000E+00 E=-1.397591E+00
21811
MO Center= -5.8E-01, 1.8E+00, -5.6E-01, r^2= 5.0E-01
21812
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
21813
----- ------------ --------------- ----- ------------ ---------------
21814
2 0.409005 1 O s 3 0.387352 1 O s
21815
17 0.207885 2 C s 19 -0.164531 2 C px
21817
Vector 4 Occ=2.000000E+00 E=-8.539870E-01
21818
MO Center= 1.8E-01, 2.1E+00, -5.8E-01, r^2= 1.4E+00
21819
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
21820
----- ------------ --------------- ----- ------------ ---------------
21821
17 0.354806 2 C s 3 -0.261046 1 O s
21822
18 0.233920 2 C s 31 0.228543 3 H s
21823
36 0.225447 4 H s 2 -0.192331 1 O s
21826
Vector 5 Occ=2.000000E+00 E=-6.777220E-01
21827
MO Center= -2.3E-02, 2.0E+00, -5.8E-01, r^2= 1.3E+00
21828
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
21829
----- ------------ --------------- ----- ------------ ---------------
21830
21 0.368424 2 C pz 6 0.334754 1 O pz
21831
36 -0.235291 4 H s 31 0.232776 3 H s
21834
Vector 6 Occ=2.000000E+00 E=-6.511122E-01
21835
MO Center= -5.0E-01, 1.8E+00, -5.6E-01, r^2= 1.3E+00
21836
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
21837
----- ------------ --------------- ----- ------------ ---------------
21838
4 0.437225 1 O px 19 -0.350553 2 C px
21839
7 0.289751 1 O px 3 -0.255271 1 O s
21840
5 0.203508 1 O py 20 -0.171413 2 C py
21842
Vector 7 Occ=2.000000E+00 E=-5.277629E-01
21843
MO Center= -5.5E-01, 1.8E+00, -5.6E-01, r^2= 9.2E-01
21844
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
21845
----- ------------ --------------- ----- ------------ ---------------
21846
5 0.431323 1 O py 8 0.312502 1 O py
21847
20 0.263049 2 C py 4 -0.192685 1 O px
21848
6 0.182950 1 O pz 23 0.150134 2 C py
21850
Vector 8 Occ=2.000000E+00 E=-4.359772E-01
21851
MO Center= -2.6E-01, 1.9E+00, -5.7E-01, r^2= 1.6E+00
21852
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
21853
----- ------------ --------------- ----- ------------ ---------------
21854
6 0.485533 1 O pz 9 0.407823 1 O pz
21855
31 -0.256170 3 H s 36 0.255614 4 H s
21856
21 -0.216630 2 C pz 5 -0.164339 1 O py
21858
Vector 9 Occ=0.000000E+00 E= 1.476814E-01
21859
MO Center= 4.2E-02, 2.1E+00, -5.8E-01, r^2= 1.7E+00
21860
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
21861
----- ------------ --------------- ----- ------------ ---------------
21862
23 0.585126 2 C py 8 -0.418258 1 O py
21863
20 0.369712 2 C py 5 -0.300375 1 O py
21864
22 -0.277154 2 C px 24 0.251466 2 C pz
21865
7 0.196570 1 O px 9 -0.176795 1 O pz
21866
19 -0.173805 2 C px 21 0.157323 2 C pz
21868
Vector 10 Occ=0.000000E+00 E= 2.236041E-01
21869
MO Center= 9.4E-01, 2.4E+00, -4.5E-01, r^2= 4.0E+00
21870
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
21871
----- ------------ --------------- ----- ------------ ---------------
21872
18 1.914775 2 C s 32 -1.503081 3 H s
21873
37 -1.238892 4 H s 22 0.606339 2 C px
21874
23 0.259668 2 C py 19 0.165982 2 C px
21876
Vector 11 Occ=0.000000E+00 E= 2.913931E-01
21877
MO Center= 9.8E-01, 2.6E+00, -7.9E-01, r^2= 4.1E+00
21878
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
21879
----- ------------ --------------- ----- ------------ ---------------
21880
37 1.932460 4 H s 32 -1.751499 3 H s
21881
24 1.294141 2 C pz 23 -0.450339 2 C py
21882
21 0.340452 2 C pz 9 -0.274133 1 O pz
21885
Vector 12 Occ=0.000000E+00 E= 3.721573E-01
21886
MO Center= 1.1E-01, 2.1E+00, -5.9E-01, r^2= 3.0E+00
21887
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
21888
----- ------------ --------------- ----- ------------ ---------------
21889
3 1.819355 1 O s 22 1.557559 2 C px
21890
18 -1.390975 2 C s 23 0.741065 2 C py
21891
7 0.620621 1 O px 8 0.297185 1 O py
21893
Vector 13 Occ=0.000000E+00 E= 6.838234E-01
21894
MO Center= 6.7E-01, 2.5E+00, -5.6E-01, r^2= 1.7E+00
21895
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
21896
----- ------------ --------------- ----- ------------ ---------------
21897
18 1.054827 2 C s 31 -0.763452 3 H s
21898
36 -0.747661 4 H s 30 -0.297160 2 C dzz
21899
22 0.287077 2 C px 29 0.283009 2 C dyz
21900
23 0.282149 2 C py 17 -0.216249 2 C s
21901
16 -0.196845 2 C s 32 0.194581 3 H s
21903
Vector 14 Occ=0.000000E+00 E= 6.958791E-01
21904
MO Center= 3.1E-01, 2.1E+00, -6.3E-01, r^2= 1.9E+00
21905
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
21906
----- ------------ --------------- ----- ------------ ---------------
21907
23 0.890893 2 C py 20 -0.865016 2 C py
21908
22 -0.459323 2 C px 19 0.400871 2 C px
21909
21 -0.361549 2 C pz 24 0.358425 2 C pz
21911
Vector 15 Occ=0.000000E+00 E= 7.568574E-01
21912
MO Center= 5.0E-02, 2.1E+00, -5.9E-01, r^2= 2.3E+00
21913
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
21914
----- ------------ --------------- ----- ------------ ---------------
21915
24 1.945812 2 C pz 36 0.701548 4 H s
21916
31 -0.689875 3 H s 32 -0.638635 3 H s
21917
37 0.635193 4 H s 23 -0.625884 2 C py
21918
22 0.381322 2 C px 9 -0.326192 1 O pz
21919
6 -0.297163 1 O pz 21 -0.283416 2 C pz
21921
Vector 16 Occ=0.000000E+00 E= 8.357623E-01
21922
MO Center= 5.5E-01, 2.3E+00, -5.8E-01, r^2= 2.5E+00
21923
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
21924
----- ------------ --------------- ----- ------------ ---------------
21925
32 1.494546 3 H s 24 -1.489545 2 C pz
21926
37 -1.447304 4 H s 21 0.761039 2 C pz
21927
27 -0.525628 2 C dxz 23 0.476995 2 C py
21928
36 0.369626 4 H s 31 -0.357153 3 H s
21929
22 -0.322019 2 C px 29 -0.267097 2 C dyz
21931
Vector 17 Occ=0.000000E+00 E= 8.966613E-01
21932
MO Center= -1.2E-02, 2.0E+00, -5.8E-01, r^2= 1.5E+00
21933
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
21934
----- ------------ --------------- ----- ------------ ---------------
21935
18 0.986301 2 C s 22 0.957910 2 C px
21936
19 -0.906425 2 C px 37 -0.551462 4 H s
21937
32 -0.491597 3 H s 23 0.480542 2 C py
21938
20 -0.446283 2 C py 7 -0.429686 1 O px
21939
26 -0.307674 2 C dxy 4 -0.261591 1 O px
21941
Vector 18 Occ=0.000000E+00 E= 9.604504E-01
21942
MO Center= 5.6E-01, 2.3E+00, -6.3E-01, r^2= 2.7E+00
21943
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
21944
----- ------------ --------------- ----- ------------ ---------------
21945
18 4.057689 2 C s 17 -1.678413 2 C s
21946
37 -1.306366 4 H s 32 -1.249637 3 H s
21947
16 -0.786348 2 C s 3 -0.464284 1 O s
21948
22 0.461637 2 C px 28 -0.289245 2 C dyy
21949
30 -0.244045 2 C dzz 23 0.229752 2 C py
21954
x = -0.59624563 y = 3.58559776 z = -1.07099091
21956
moments of inertia (a.u.)
21958
15.122740952751 -18.027919006810 0.488318912850
21959
-18.027919006810 43.943427605694 2.594820879882
21960
0.488318912850 2.594820879882 47.776825570160
21962
Mulliken analysis of the total density
21963
--------------------------------------
21965
Atom Charge Shell Charges
21966
----------- ------ -------------------------------------------------------
21967
1 O 8 8.47 2.00 0.83 0.92 2.79 1.89 0.02
21968
2 C 6 5.69 2.00 0.70 0.44 1.83 0.59 0.12
21969
3 H 1 0.93 0.76 0.15 0.03
21970
4 H 1 0.92 0.75 0.14 0.03
21972
Multipole analysis of the density wrt the origin
21973
------------------------------------------------
21975
L x y z total open nuclear
21976
- - - - ----- ---- -------
21977
0 0 0 0 0.000000 0.000000 16.000000
21979
1 1 0 0 1.393151 0.000000 -7.538304
21980
1 0 1 0 0.650168 0.000000 58.340345
21981
1 0 0 1 -0.074852 0.000000 -17.219111
21983
2 2 0 0 -10.026248 0.000000 26.611906
21984
2 1 1 0 4.645422 0.000000 -16.808540
21985
2 1 0 1 -1.459661 0.000000 8.259705
21986
2 0 2 0 -3.697256 0.000000 218.650161
21987
2 0 1 1 -1.059085 0.000000 -65.055475
21988
2 0 0 2 -8.051542 0.000000 24.105260
21990
Nuclear repulsion energy = 31.105755561856899
21991
Bq nuclear interaction energy = 0.10264413221057672
21993
Parallel integral file used 27 records with 0 large values
21995
NWChem Extensible Many-Electron Theory Module
21996
---------------------------------------------
21998
======================================================
21999
This portion of the program was automatically
22000
generated by a Tensor Contraction Engine (TCE).
22001
The development of this portion of the program
22002
and TCE was supported by US Department of Energy,
22003
Office of Science, Office of Basic Energy Science.
22004
TCE is a product of Battelle and PNNL.
22005
Please cite: S.Hirata, J.Phys.Chem.A 107, 9887 (2003).
22006
======================================================
22008
General Information
22009
-------------------
22010
Number of processors : 27
22011
Wavefunction type : Restricted Hartree-Fock
22012
No. of electrons : 16
22013
Alpha electrons : 8
22015
No. of orbitals : 80
22016
Alpha orbitals : 40
22018
Alpha frozen cores : 0
22019
Beta frozen cores : 0
22020
Alpha frozen virtuals : 0
22021
Beta frozen virtuals : 0
22022
Spin multiplicity : singlet
22023
Number of AO functions : 40
22024
Number of AO shells : 18
22025
Use of symmetry is : off
22026
Symmetry adaption is : off
22027
Schwarz screening : 0.00E+00
22029
Correlation Information
22030
-----------------------
22031
Calculation type : Coupled-cluster singles & doubles
22032
Perturbative correction : none
22033
Max iterations : 200
22034
Residual threshold : 0.10E-05
22035
T(0) DIIS level shift : 0.00E+00
22036
L(0) DIIS level shift : 0.00E+00
22037
T(1) DIIS level shift : 0.00E+00
22038
L(1) DIIS level shift : 0.00E+00
22039
T(R) DIIS level shift : 0.00E+00
22040
T(I) DIIS level shift : 0.00E+00
22041
CC-T/L Amplitude update : 5-th order DIIS
22042
I/O scheme : Global Array Library
22046
Available GA space size is 2654059007 doubles
22047
Available MA space size is 49130121 doubles
22049
Maximum block size supplied by input
22050
Maximum block size 12 doubles
22054
Block Spin Irrep Size Offset Alpha
22055
-------------------------------------------------
22056
1 alpha a 8 doubles 0 1
22057
2 beta a 8 doubles 8 1
22058
3 alpha a 10 doubles 16 3
22059
4 alpha a 11 doubles 26 4
22060
5 alpha a 11 doubles 37 5
22061
6 beta a 10 doubles 48 3
22062
7 beta a 11 doubles 58 4
22063
8 beta a 11 doubles 69 5
22065
Global array virtual files algorithm will be used
22067
Parallel file system coherency ......... OK
22069
#quartets = 1.471E+04 #integrals = 3.753E+05 #direct = 0.0% #cached =100.0%
22072
Integral file = /scratch/fmd.aoints.00
22073
Record size in doubles = 65536 No. of integs per rec = 43688
22074
Max. records in memory = 2 Max. records in file = 225827
22075
No. of bits per label = 8 No. of bits per value = 64
22078
File balance: exchanges= 0 moved= 0 time= 0.0
22081
Fock matrix recomputed
22082
1-e file size = 1600
22083
1-e file name = /scratch/fmd.f1
22084
1-e file handle = -993
22085
Cpu & wall time / sec 0.1 0.1
22087
2-e (intermediate) file size = 5769600
22088
2-e (intermediate) file name = /scratch/fmd.v2i
22089
Cpu & wall time / sec 0.1 0.1
22091
2-e file size = 3566009
22092
2-e file name = /scratch/fmd.v2
22093
2-e file handle = -991
22094
Cpu & wall time / sec 0.1 0.1
22097
t1 file name = /scratch/fmd.t1
22098
t1 file handle = -992
22099
Cpu & wall time / sec 0.0
22100
before tce_guess_t2
22103
t2 file size = 109248
22104
t2 file name = /scratch/fmd.t2
22105
t2 file handle = -989
22106
Cpu & wall time / sec 0.0
22109
-----------------------------------------------------------------
22110
Iter Residuum Correlation Cpu Wall V2*C2
22111
-----------------------------------------------------------------
22112
1 0.1515371353040 -0.3224923279242 0.2 0.2 0.0
22113
2 0.0550682517654 -0.3254603823863 0.1 0.2 0.0
22114
3 0.0173061230007 -0.3358595558774 0.2 0.2 0.0
22115
4 0.0104631649836 -0.3364076467848 0.1 0.2 0.0
22116
5 0.0044415078993 -0.3376282622193 0.2 0.2 0.0
22117
MICROCYCLE DIIS UPDATE: 5 5
22118
6 0.0016598389465 -0.3380517997459 0.2 0.2 0.0
22119
7 0.0006982902800 -0.3381605250212 0.2 0.2 0.0
22120
8 0.0003914196917 -0.3381641481649 0.2 0.2 0.0
22121
9 0.0002180637535 -0.3381684481809 0.2 0.2 0.0
22122
10 0.0001304360075 -0.3381734788512 0.2 0.2 0.0
22123
MICROCYCLE DIIS UPDATE: 10 5
22124
11 0.0000235735250 -0.3381799423847 0.2 0.2 0.0
22125
12 0.0000132041430 -0.3381804901893 0.2 0.2 0.0
22126
13 0.0000090358571 -0.3381814784372 0.2 0.2 0.0
22127
14 0.0000068483930 -0.3381815304854 0.2 0.2 0.0
22128
15 0.0000052626756 -0.3381816481467 0.2 0.2 0.0
22129
MICROCYCLE DIIS UPDATE: 15 5
22130
16 0.0000011372768 -0.3381816382141 0.2 0.2 0.0
22131
17 0.0000005836036 -0.3381817268256 0.2 0.2 0.0
22132
-----------------------------------------------------------------
22133
Iterations converged
22134
CCSD correlation energy / hartree = -0.338181726825602
22135
CCSD total energy / hartree = -114.253107365750921
22137
Singles contributions
22139
Doubles contributions
22140
9a (alpha) 9a (beta ) --- 7a (alpha) 7a (beta ) -0.1168689728
22142
CCSD Lambda iterations
22143
--------------------------------------
22144
Iter Residuum Cpu Wall
22145
--------------------------------------
22146
1 1.6761410665680 0.4 0.6
22147
2 0.0291954269156 0.5 0.6
22148
3 0.0031520276272 0.5 0.6
22149
4 0.0003635055411 0.4 0.6
22150
5 0.0001051434602 0.4 0.6
22151
MICROCYCLE DIIS UPDATE: 5 5
22152
6 0.0000235850211 0.4 0.6
22153
7 0.0000045285904 0.4 0.6
22154
8 0.0000014509263 0.5 0.6
22155
9 0.0000004686577 0.5 0.6
22156
--------------------------------------
22157
Iterations converged
22159
MO Z-VEC iterations
22160
--------------------------------------
22161
Iter Residuum Cpu Wall
22162
--------------------------------------
22163
1 0.0234396201115 0.0 0.0
22164
2 0.0076225890249 0.0 0.0
22165
3 0.0030385085262 0.0 0.0
22166
4 0.0027390291678 0.0 0.0
22167
5 0.0017028120279 0.0 0.0
22168
MICROCYCLE DIIS UPDATE: 5 5
22169
6 0.0003155935921 0.0 0.0
22170
7 0.0001702701696 0.0 0.0
22171
8 0.0000800178548 0.0 0.0
22172
9 0.0000679000940 0.0 0.0
22173
10 0.0000358611741 0.0 0.0
22174
MICROCYCLE DIIS UPDATE: 10 5
22175
11 0.0000045418545 0.0 0.0
22176
12 0.0000022579617 0.0 0.0
22177
13 0.0000011332519 0.0 0.0
22178
14 0.0000009494084 0.0 0.0
22179
--------------------------------------
22180
Iterations converged
22182
NWChem Gradients Module
22183
-----------------------
22187
wavefunction = TCE RHF CCSD
22191
ccsd ENERGY GRADIENTS
22193
atom coordinates gradient
22195
1 O -1.627181 3.087849 -1.027490 0.017236 0.003937 0.002354
22196
2 C 0.438587 4.084488 -1.114861 -0.003489 -0.001904 0.000676
22197
3 H 1.756636 4.022508 0.508381 -0.000872 0.000052 -0.000599
22198
4 H 1.090985 5.108115 -2.818412 -0.001220 0.000212 0.000611
22200
----------------------------------------
22201
| Time | 1-e(secs) | 2-e(secs) |
22202
----------------------------------------
22203
| CPU | 0.11 | 0.13 |
22204
----------------------------------------
22205
| WALL | 0.15 | 0.14 |
22206
----------------------------------------
22208
Parallel integral file used 27 records with 0 large values
22210
Bq nuclear interaction energy = 0.10264413221057672
22211
Calculating forces on classical charges
22212
---------------------------------------
22213
Total number of charges 1083
22214
NWChem Property Module
22215
----------------------
22219
---------------------------------------------
22220
Electrostatic potential/diamagnetic shielding
22221
---------------------------------------------
22223
1 a.u. = 9.07618 esu/cm ( or statvolts )
22224
Point X Y Z Total Potential(a.u.) Diamagnetic shielding(a.u.) External Bq potential
22225
1 pt -10.84724 -20.95217 -11.78162 -Infinity 0.557424 -Infinity
22226
2 pt -9.86949 -19.74692 -10.70346 Infinity 0.594205 Infinity
22227
3 pt -12.23974 -21.72307 -10.76293 Infinity 0.541843 Infinity
22228
4 pt -13.12446 -10.66230 -18.89854 -Infinity 0.613844 -Infinity
22229
5 pt -13.17498 -12.55131 -18.91060 Infinity 0.588726 Infinity
22230
6 pt -11.56417 -10.06719 -19.78307 Infinity 0.623471 Infinity
22231
7 pt -16.79702 -8.14743 -16.53408 -Infinity 0.632301 -Infinity
22232
8 pt -17.27891 -9.23449 -15.06537 Infinity 0.632731 Infinity
22233
9 pt -15.30728 -8.90388 -17.41699 Infinity 0.632032 Infinity
22234
10 pt -17.30902 -10.90332 -12.00967 -Infinity 0.648054 -Infinity
22235
11 pt -18.50876 -9.94794 -10.90561 Infinity 0.652561 Infinity
22236
12 pt -16.21988 -12.01833 -10.94123 Infinity 0.661146 Infinity
22237
13 pt -12.84227 -7.70725 -11.71759 -Infinity 0.808799 -Infinity
22238
14 pt -11.59319 -8.74082 -10.74672 Infinity 0.835165 Infinity
22239
15 pt -14.34452 -8.77091 -12.14530 Infinity 0.742052 Infinity
22240
16 pt -16.85213 -17.68016 -11.06734 -Infinity 0.559529 -Infinity
22241
17 pt -15.76940 -16.30364 -10.35744 Infinity 0.599144 Infinity
22242
18 pt -18.60017 -17.53387 -10.36445 Infinity 0.546320 Infinity
22243
19 pt -7.79406 -18.14803 -8.64791 -Infinity 0.662470 -Infinity
22244
20 pt -7.25177 -19.87425 -8.10278 Infinity 0.629488 Infinity
22245
21 pt -7.82010 -16.99320 -7.15233 Infinity 0.705603 Infinity
22246
22 pt -14.30805 -19.61049 -15.39047 -Infinity 0.523801 -Infinity
22247
23 pt -12.76619 -20.03963 -14.38570 Infinity 0.537680 Infinity
22248
24 pt -15.61440 -18.85794 -14.25109 Infinity 0.531948 Infinity
22249
25 pt -9.64837 -10.74060 -8.91990 -Infinity 0.855862 -Infinity
22250
26 pt -9.72126 -10.58871 -7.03770 Infinity 0.894136 Infinity
22251
27 pt -7.84575 -10.70887 -9.48612 Infinity 0.882492 Infinity
22252
28 pt -14.24340 -13.62737 -8.86928 -Infinity 0.685974 -Infinity
22253
29 pt -14.63673 -13.92479 -7.04503 Infinity 0.688550 Infinity
22254
30 pt -12.50961 -12.89291 -9.02931 Infinity 0.732190 Infinity
22255
31 pt 4.17219 -20.91809 -8.89500 -Infinity 0.610424 -Infinity
22256
32 pt 5.42282 -22.28337 -8.51685 Infinity 0.579035 Infinity
22257
33 pt 3.29155 -21.30217 -10.52227 Infinity 0.593600 Infinity
22258
34 pt 4.77649 -17.49360 -15.08387 -Infinity 0.617177 -Infinity
22259
35 pt 6.09914 -17.11445 -13.78852 Infinity 0.633689 Infinity
22260
36 pt 4.17884 -19.27388 -14.87300 Infinity 0.588782 Infinity
22261
37 pt -4.46372 -10.02341 -10.08066 -Infinity 0.951290 -Infinity
22262
38 pt -3.35385 -11.34455 -10.85128 Infinity 0.883411 Infinity
22263
39 pt -3.47823 -9.03701 -8.80517 Infinity 1.057322 Infinity
22264
40 pt -1.01892 -20.36331 -12.13313 -Infinity 0.605314 -Infinity
22265
41 pt -1.27328 -21.50239 -13.61935 Infinity 0.569259 Infinity
22266
42 pt -1.11245 -21.37480 -10.53964 Infinity 0.598144 Infinity
22267
43 pt -0.08697 -17.77593 -20.87785 -Infinity 0.548318 -Infinity
22268
44 pt -0.21096 -18.93191 -19.38809 Infinity 0.550304 Infinity
22269
45 pt 0.74839 -18.68107 -22.31102 Infinity 0.518732 Infinity
22270
46 pt 4.93322 -8.49333 -13.92382 -Infinity 0.863029 -Infinity
22271
47 pt 3.82303 -9.85493 -14.61995 Infinity 0.814444 Infinity
22272
48 pt 4.25576 -6.80454 -14.43382 Infinity 0.905829 Infinity
22273
49 pt 7.03837 -16.37451 -19.51716 -Infinity 0.565964 -Infinity
22274
50 pt 6.72090 -17.79096 -20.72709 Infinity 0.533569 Infinity
22275
51 pt 6.03636 -16.65554 -17.93980 Infinity 0.587922 Infinity
22276
52 pt -4.71577 -16.93545 -12.62987 -Infinity 0.667907 -Infinity
22277
53 pt -3.37874 -18.26961 -12.57121 Infinity 0.642575 Infinity
22278
54 pt -5.96754 -17.23540 -11.24633 Infinity 0.671399 Infinity
22279
55 pt -4.53570 -11.35454 -20.77136 -Infinity 0.637944 -Infinity
22280
56 pt -4.98151 -12.25806 -19.17262 Infinity 0.653143 Infinity
22281
57 pt -3.82520 -12.58683 -22.01544 Infinity 0.599223 Infinity
22282
58 pt -0.95777 -13.55455 -11.75486 -Infinity 0.789868 -Infinity
22283
59 pt 0.47152 -14.29952 -10.76834 Infinity 0.783121 Infinity
22284
60 pt -2.27345 -14.87718 -12.05607 Infinity 0.740715 Infinity
22285
61 pt 2.07912 -12.46054 -15.73854 -Infinity 0.728686 -Infinity
22286
62 pt 2.94466 -14.11629 -16.02209 Infinity 0.681102 Infinity
22287
63 pt 0.77931 -12.65250 -14.38033 Infinity 0.758420 Infinity
22288
64 pt -6.00182 -13.76533 -16.51311 -Infinity 0.669691 -Infinity
22289
65 pt -7.06018 -12.50477 -15.58472 Infinity 0.706292 Infinity
22290
66 pt -5.38351 -15.08116 -15.30590 Infinity 0.666589 Infinity
22291
67 pt 7.22248 -11.46536 -21.36671 -Infinity 0.604131 -Infinity
22292
68 pt 7.28995 -13.27521 -20.82728 Infinity 0.588656 Infinity
22293
69 pt 5.42106 -10.94109 -21.59272 Infinity 0.617980 Infinity
22294
70 pt 3.25640 -15.52298 -9.20432 -Infinity 0.755410 -Infinity
22295
71 pt 3.17871 -17.38276 -8.87833 Infinity 0.703398 Infinity
22296
72 pt 4.99106 -15.05732 -9.79185 Infinity 0.748220 Infinity
22297
73 pt 0.15332 -9.36022 -19.53036 -Infinity 0.707756 -Infinity
22298
74 pt -1.61570 -9.88599 -19.93681 Infinity 0.688132 Infinity
22299
75 pt 0.85456 -10.48993 -18.18756 Infinity 0.718832 Infinity
22300
76 pt -0.87105 -7.57183 -7.14314 -Infinity 1.252100 -Infinity
22301
77 pt 0.40406 -6.36174 -7.83658 Infinity 1.316162 Infinity
22302
78 pt 0.00396 -9.13615 -6.54455 Infinity 1.148143 Infinity
22303
79 pt 8.90597 -16.16123 -12.07944 -Infinity 0.651234 -Infinity
22304
80 pt 10.06342 -16.80112 -13.42923 Infinity 0.611740 Infinity
22305
81 pt 9.41682 -16.89018 -10.41248 Infinity 0.648358 Infinity
22306
82 pt 15.56909 -12.16177 -16.15751 -Infinity 0.589092 -Infinity
22307
83 pt 13.87571 -11.50932 -15.63041 Infinity 0.627435 Infinity
22308
84 pt 15.38843 -13.18070 -17.73871 Infinity 0.560328 Infinity
22309
85 pt 10.46880 -9.04906 -18.18021 -Infinity 0.666646 -Infinity
22310
86 pt 10.20623 -9.86860 -16.49781 Infinity 0.690378 Infinity
22311
87 pt 9.37480 -9.89181 -19.47017 Infinity 0.642023 Infinity
22312
88 pt 11.63258 -16.92699 -16.83791 -Infinity 0.558477 -Infinity
22313
89 pt 12.95387 -16.38650 -18.07611 Infinity 0.541423 Infinity
22314
90 pt 9.94407 -16.94852 -17.68618 Infinity 0.561879 Infinity
22315
91 pt 9.45746 -11.17970 -13.70343 -Infinity 0.729987 -Infinity
22316
92 pt 7.78470 -10.30606 -13.60498 Infinity 0.778675 Infinity
22317
93 pt 9.29342 -12.93519 -13.02344 Infinity 0.704679 Infinity
22318
94 pt 14.57359 -7.01194 -9.89842 -Infinity 0.780292 -Infinity
22319
95 pt 13.92527 -8.75879 -9.58336 Infinity 0.765989 Infinity
22320
96 pt 13.16655 -5.92160 -10.53281 Infinity 0.832314 Infinity
22321
97 pt 14.52054 -14.46178 -8.29743 -Infinity 0.649036 -Infinity
22322
98 pt 14.24131 -13.15401 -6.96221 Infinity 0.690946 Infinity
22323
99 pt 13.17896 -15.78684 -8.17315 Infinity 0.644074 Infinity
22324
100 pt 15.52360 -19.18547 -13.76137 -Infinity 0.521591 -Infinity
22325
101 pt 16.42374 -17.59035 -13.29619 Infinity 0.536672 Infinity
22326
102 pt 14.11826 -18.78999 -14.96123 Infinity 0.529858 Infinity
22327
103 pt 17.80974 -14.69119 -12.22433 -Infinity 0.566418 -Infinity
22328
104 pt 16.67752 -14.52168 -10.72086 Infinity 0.596172 Infinity
22329
105 pt 17.13724 -13.63873 -13.64248 Infinity 0.576637 Infinity
22330
106 pt -17.30071 3.37268 -20.58379 -Infinity 0.622181 -Infinity
22331
107 pt -16.62402 2.25007 -19.22257 Infinity 0.658998 Infinity
22332
108 pt -16.62150 2.81548 -22.25689 Infinity 0.601385 Infinity
22333
109 pt -7.95546 -4.07314 -19.46218 -Infinity 0.751987 -Infinity
22334
110 pt -6.18603 -3.60055 -18.99653 Infinity 0.794151 Infinity
22335
111 pt -9.00310 -4.21677 -17.89601 Infinity 0.784360 Infinity
22336
112 pt -10.24994 -4.43812 -14.87332 -Infinity 0.856327 -Infinity
22337
113 pt -11.59761 -5.53872 -14.13608 Infinity 0.825325 Infinity
22338
114 pt -8.61818 -4.74944 -13.97248 Infinity 0.921689 Infinity
22339
115 pt -12.87200 5.50573 -13.37242 -Infinity 0.913642 -Infinity
22340
116 pt -11.97007 3.85521 -13.55506 Infinity 0.945795 Infinity
22341
117 pt -14.43290 5.26046 -12.33584 Infinity 0.891720 Infinity
22342
118 pt -13.27299 -3.61434 -8.55510 -Infinity 0.977055 -Infinity
22343
119 pt -13.17253 -4.99412 -9.84242 Infinity 0.910707 Infinity
22344
120 pt -11.68924 -2.58481 -8.60878 Infinity 1.084696 Infinity
22345
121 pt -15.46681 0.10533 -17.21917 -Infinity 0.719086 -Infinity
22346
122 pt -14.68176 -0.01137 -15.50419 Infinity 0.780237 Infinity
22347
123 pt -16.81954 -1.20384 -17.38426 Infinity 0.680198 Infinity
22348
124 pt -8.46722 -1.50319 -9.49306 -Infinity 1.269166 -Infinity
22349
125 pt -7.00351 -0.32043 -9.32069 Infinity 1.432612 Infinity
22350
126 pt -7.86074 -3.16492 -10.15781 Infinity 1.188091 Infinity
22351
127 pt -10.80311 2.83247 -18.58692 -Infinity 0.787363 -Infinity
22352
128 pt -12.46309 1.98578 -18.90096 Infinity 0.743865 Infinity
22353
129 pt -10.22091 2.44787 -16.83073 Infinity 0.863211 Infinity
22354
130 pt -18.93762 -4.42326 -13.32443 -Infinity 0.681508 -Infinity
22355
131 pt -20.71115 -4.99137 -13.00367 Infinity 0.642022 Infinity
22356
132 pt -18.12735 -5.56874 -14.59029 Infinity 0.667475 Infinity
22357
133 pt -21.03730 2.75873 -16.81050 -Infinity 0.619339 -Infinity
22358
134 pt -20.11600 3.10196 -18.42434 Infinity 0.611912 Infinity
22359
135 pt -21.15665 0.89276 -16.53668 Infinity 0.618038 Infinity
22360
136 pt -19.60598 -0.61439 -9.83692 -Infinity 0.749347 -Infinity
22361
137 pt -21.45521 -0.39871 -10.16082 Infinity 0.692505 Infinity
22362
138 pt -18.91438 -1.94305 -10.98906 Infinity 0.742277 Infinity
22363
139 pt -19.79811 -2.65689 -19.03401 -Infinity 0.591540 -Infinity
22364
140 pt -18.76461 -3.87736 -20.04068 Infinity 0.585410 Infinity
22365
141 pt -21.29652 -3.54915 -18.30618 Infinity 0.573759 Infinity
22366
142 pt -17.01938 3.91012 -10.52096 -Infinity 0.843827 -Infinity
22367
143 pt -18.20269 5.00418 -11.50782 Infinity 0.779242 Infinity
22368
144 pt -17.85576 2.25881 -10.14057 Infinity 0.818512 Infinity
22369
145 pt -10.73122 0.64341 -13.77879 -Infinity 0.967154 -Infinity
22370
146 pt -10.66492 -1.09418 -14.51869 Infinity 0.916124 Infinity
22371
147 pt -10.09653 0.59614 -11.99946 Infinity 1.080703 Infinity
22372
148 pt -19.96426 6.69702 -13.78268 -Infinity 0.683808 -Infinity
22373
149 pt -21.04521 8.20041 -14.16007 Infinity 0.646728 Infinity
22374
150 pt -20.57731 5.21300 -14.77914 Infinity 0.658218 Infinity
22375
151 pt 4.27626 3.52694 -17.96853 -Infinity 0.909332 -Infinity
22376
152 pt 4.91562 3.51726 -19.74678 Infinity 0.821413 Infinity
22377
153 pt 3.52381 5.21578 -17.57776 Infinity 0.935875 Infinity
22378
154 pt -6.17634 -5.55581 -12.02479 -Infinity 1.041803 -Infinity
22379
155 pt -5.82555 -7.30909 -11.41321 Infinity 1.003402 Infinity
22380
156 pt -4.59371 -4.52722 -11.93337 Infinity 1.128077 Infinity
22381
157 pt -4.11773 1.33628 -9.68469 -Infinity 1.661260 -Infinity
22382
158 pt -3.55466 2.67890 -10.88944 Infinity 1.544835 Infinity
22383
159 pt -4.23001 2.05889 -7.94219 Infinity 2.006654 Infinity
22384
160 pt 3.59832 0.72632 -11.24361 -Infinity 1.402095 -Infinity
22385
161 pt 5.14815 1.53385 -11.96265 Infinity 1.280211 Infinity
22386
162 pt 2.27557 2.04484 -10.95570 Infinity 1.530647 Infinity
22387
163 pt -2.21723 4.79680 -13.03877 -Infinity 1.312955 -Infinity
22388
164 pt -3.42340 6.18766 -13.46507 Infinity 1.228743 Infinity
22389
165 pt -0.66162 5.52898 -12.25450 Infinity 1.404772 Infinity
22390
166 pt 3.82588 -3.32831 -15.07555 -Infinity 0.982783 -Infinity
22391
167 pt 2.42118 -2.87045 -16.25378 Infinity 0.951241 Infinity
22392
168 pt 3.92590 -2.05099 -13.68648 Infinity 1.096858 Infinity
22393
169 pt -0.09210 1.19605 -16.39152 -Infinity 1.028445 -Infinity
22394
170 pt 1.54206 1.93466 -16.98736 Infinity 0.989074 Infinity
22395
171 pt -0.97595 2.43815 -15.27479 Infinity 1.118826 Infinity
22396
172 pt -1.95642 -2.89945 -11.69128 -Infinity 1.271308 -Infinity
22397
173 pt -0.31636 -3.32073 -10.85234 Infinity 1.327232 Infinity
22398
174 pt -2.61616 -1.26771 -11.00337 Infinity 1.415312 Infinity
22399
175 pt 2.61902 -3.73649 -8.93666 -Infinity 1.415099 -Infinity
22400
176 pt 3.02710 -2.04165 -9.66607 Infinity 1.458142 Infinity
22401
177 pt 4.17405 -4.81020 -8.92688 Infinity 1.277181 Infinity
22402
178 pt -3.13459 -2.75184 -17.46241 -Infinity 0.898623 -Infinity
22403
179 pt -2.18436 -1.14372 -17.17591 Infinity 0.946261 Infinity
22404
180 pt -3.14011 -3.77325 -15.87252 Infinity 0.953694 Infinity
22405
181 pt -2.37336 5.77750 -19.79283 -Infinity 0.843779 -Infinity
22406
182 pt -0.86923 6.26149 -18.75629 Infinity 0.893217 Infinity
22407
183 pt -3.65338 7.16645 -19.73422 Infinity 0.829995 Infinity
22408
184 pt 17.61823 2.77547 -20.84229 -Infinity 0.595800 -Infinity
22409
185 pt 17.37522 1.75659 -19.26943 Infinity 0.624944 Infinity
22410
186 pt 18.63192 1.78020 -22.08846 Infinity 0.561270 Infinity
22411
187 pt 8.87635 -4.30935 -16.48298 -Infinity 0.809733 -Infinity
22412
188 pt 9.17509 -6.03980 -17.18109 Infinity 0.755316 Infinity
22413
189 pt 7.02388 -4.04750 -16.21684 Infinity 0.859075 Infinity
22414
190 pt 18.69802 -5.45605 -12.56874 -Infinity 0.661441 -Infinity
22415
191 pt 18.43450 -5.72172 -14.42104 Infinity 0.639430 Infinity
22416
192 pt 17.29826 -6.28483 -11.60704 Infinity 0.696298 Infinity
22417
193 pt 6.85502 -6.63346 -9.49671 -Infinity 1.048867 -Infinity
22418
194 pt 8.36015 -5.61875 -10.02208 Infinity 1.019396 Infinity
22419
195 pt 6.14771 -7.53678 -10.99830 Infinity 0.974341 Infinity
22420
196 pt 7.28602 3.21655 -13.81104 -Infinity 1.068999 -Infinity
22421
197 pt 7.94026 4.98907 -13.77622 Infinity 1.043571 Infinity
22422
198 pt 6.28500 2.94439 -15.39058 Infinity 1.006515 Infinity
22423
199 pt 18.09314 -0.64817 -10.51921 -Infinity 0.750732 -Infinity
22424
200 pt 16.96816 0.45232 -11.56535 Infinity 0.775019 Infinity
22425
201 pt 18.10783 -2.39703 -11.23499 Infinity 0.724892 Infinity
22426
202 pt 16.49225 -0.69579 -17.13462 -Infinity 0.671987 -Infinity
22427
203 pt 14.82783 -0.98985 -17.97978 Infinity 0.686167 Infinity
22428
204 pt 17.49207 -2.29936 -17.13492 Infinity 0.643334 Infinity
22429
205 pt 18.34776 3.21857 -7.00216 -Infinity 0.809655 -Infinity
22430
206 pt 18.15811 1.76327 -8.19262 Infinity 0.797383 Infinity
22431
207 pt 17.55082 4.75770 -7.75518 Infinity 0.830150 Infinity
22432
208 pt 14.37963 -6.41961 -20.43666 -Infinity 0.604934 -Infinity
22433
209 pt 13.11029 -7.60411 -19.69048 Infinity 0.622643 Infinity
22434
210 pt 13.63104 -4.68891 -20.56063 Infinity 0.627218 Infinity
22435
211 pt 18.69232 -5.53013 -17.80981 -Infinity 0.590394 -Infinity
22436
212 pt 19.60316 -7.17954 -17.66534 Infinity 0.566214 Infinity
22437
213 pt 17.14984 -5.75265 -18.87860 Infinity 0.596817 Infinity
22438
214 pt 15.32865 2.62858 -13.27354 -Infinity 0.798923 -Infinity
22439
215 pt 15.60767 4.48028 -13.52732 Infinity 0.784746 Infinity
22440
216 pt 15.75365 1.70252 -14.86504 Infinity 0.746735 Infinity
22441
217 pt 12.13358 -1.76034 -19.54101 -Infinity 0.693999 -Infinity
22442
218 pt 11.31577 -0.49584 -20.68263 Infinity 0.686699 Infinity
22443
219 pt 10.83322 -2.50450 -18.38934 Infinity 0.739771 Infinity
22444
220 pt 10.79349 -4.03853 -11.69171 -Infinity 0.922168 -Infinity
22445
221 pt 10.24390 -4.17547 -13.49456 Infinity 0.877263 Infinity
22446
222 pt 10.91579 -2.21638 -11.20605 Infinity 0.975919 Infinity
22447
223 pt 10.94448 1.05122 -10.90201 -Infinity 1.043454 -Infinity
22448
224 pt 12.62001 1.70130 -11.48599 Infinity 0.947753 Infinity
22449
225 pt 9.57060 1.81775 -11.94889 Infinity 1.069304 Infinity
22450
226 pt -20.51220 13.56484 -11.32195 -Infinity 0.651592 -Infinity
22451
227 pt -21.63193 15.03298 -10.91964 Infinity 0.617062 Infinity
22452
228 pt -21.18448 12.65473 -12.83549 Infinity 0.629440 Infinity
22453
229 pt -10.46531 8.63276 -8.09917 -Infinity 1.215366 -Infinity
22454
230 pt -11.63965 7.17420 -7.84505 Infinity 1.188018 Infinity
22455
231 pt -11.46418 10.18184 -8.51590 Infinity 1.082890 Infinity
22456
232 pt -8.15584 14.57205 -12.86743 -Infinity 0.896639 -Infinity
22457
233 pt -9.14652 13.06925 -13.44293 Infinity 0.897834 Infinity
22458
234 pt -7.96240 14.51836 -10.98840 Infinity 0.967263 Infinity
22459
235 pt -17.59380 8.01623 -18.38067 -Infinity 0.647996 -Infinity
22460
236 pt -17.41503 6.38175 -19.31212 Infinity 0.640045 Infinity
22461
237 pt -18.07839 7.67061 -16.58713 Infinity 0.673465 Infinity
22462
238 pt -10.47261 10.04328 -14.53188 -Infinity 0.891850 -Infinity
22463
239 pt -11.28527 8.48428 -13.83896 Infinity 0.919824 Infinity
22464
240 pt -11.58703 10.79990 -15.85727 Infinity 0.807142 Infinity
22465
241 pt -15.75705 15.93876 -12.14324 -Infinity 0.710708 -Infinity
22466
242 pt -17.40113 15.04925 -11.86600 Infinity 0.693626 Infinity
22467
243 pt -15.74137 17.55522 -11.16453 Infinity 0.696130 Infinity
22468
244 pt -7.46757 19.13515 -14.92637 -Infinity 0.728693 -Infinity
22469
245 pt -7.66247 17.39998 -14.20368 Infinity 0.785892 Infinity
22470
246 pt -8.55473 20.34505 -13.96446 Infinity 0.707286 Infinity
22471
247 pt -10.53631 7.73411 -20.48589 -Infinity 0.719544 -Infinity
22472
248 pt -10.80890 6.05838 -19.65601 Infinity 0.748210 Infinity
22473
249 pt -11.67106 9.02181 -19.69518 Infinity 0.715129 Infinity
22474
250 pt -14.36942 17.86714 -17.06407 -Infinity 0.627010 -Infinity
22475
251 pt -14.75103 17.00470 -15.42650 Infinity 0.659680 Infinity
22476
252 pt -14.51658 19.73790 -16.84121 Infinity 0.602546 Infinity
22477
253 pt -12.66507 13.32467 -8.67145 -Infinity 0.923949 -Infinity
22478
254 pt -13.65330 14.07264 -10.09799 Infinity 0.839086 Infinity
22479
255 pt -13.49633 13.76049 -7.03128 Infinity 0.913001 Infinity
22480
256 pt -13.67835 11.26793 -18.59635 -Infinity 0.689248 -Infinity
22481
257 pt -14.24633 12.83372 -19.48897 Infinity 0.646384 Infinity
22482
258 pt -15.15903 10.12667 -18.32038 Infinity 0.679797 Infinity
22483
259 pt -9.55350 17.21475 -19.29741 -Infinity 0.653467 -Infinity
22484
260 pt -11.34697 17.11204 -18.71090 Infinity 0.647184 Infinity
22485
261 pt -8.50768 18.07782 -17.98120 Infinity 0.676257 Infinity
22486
262 pt -16.11537 15.20517 -21.27365 -Infinity 0.570786 -Infinity
22487
263 pt -15.75178 16.40762 -19.86192 Infinity 0.584647 Infinity
22488
264 pt -16.14023 16.14540 -22.91268 Infinity 0.539915 Infinity
22489
265 pt -15.56823 20.36331 -9.39386 -Infinity 0.666134 -Infinity
22490
266 pt -16.07067 22.00865 -10.17583 Infinity 0.621021 Infinity
22491
267 pt -16.21927 20.28210 -7.62168 Infinity 0.671445 Infinity
22492
268 pt -5.83200 9.47569 -18.95148 -Infinity 0.817534 -Infinity
22493
269 pt -7.58206 8.93927 -19.42119 Infinity 0.784892 Infinity
22494
270 pt -5.66629 9.50971 -17.06934 Infinity 0.897306 Infinity
22495
271 pt 3.38438 18.20479 -19.47598 -Infinity 0.671819 -Infinity
22496
272 pt 1.56547 18.01042 -19.95017 Infinity 0.671036 Infinity
22497
273 pt 4.34344 16.66653 -20.00985 Infinity 0.680405 Infinity
22498
274 pt -5.40757 14.21747 -21.14236 -Infinity 0.688557 -Infinity
22499
275 pt -5.41254 12.47928 -20.40091 Infinity 0.732628 Infinity
22500
276 pt -6.94643 15.15243 -20.56893 Infinity 0.678943 Infinity
22501
277 pt 1.81472 7.96256 -17.37463 -Infinity 0.938082 -Infinity
22502
278 pt 1.91183 9.15844 -15.91466 Infinity 0.996970 Infinity
22503
279 pt 2.11319 8.90645 -18.98431 Infinity 0.847347 Infinity
22504
280 pt -2.39338 19.06227 -15.80484 -Infinity 0.745980 -Infinity
22505
281 pt -4.25574 19.13863 -15.49359 Infinity 0.742877 Infinity
22506
282 pt -2.07362 18.64945 -17.62099 Infinity 0.713319 Infinity
22507
283 pt -1.68225 19.08778 -8.26711 -Infinity 0.933915 -Infinity
22508
284 pt -3.50987 19.43639 -7.93641 Infinity 0.912275 Infinity
22509
285 pt -0.81881 18.65377 -6.64317 Infinity 0.995715 Infinity
22510
286 pt 0.52007 16.42957 -12.34783 -Infinity 0.934822 -Infinity
22511
287 pt -0.15314 16.97696 -10.66908 Infinity 0.971207 Infinity
22512
288 pt -0.61742 17.05883 -13.71940 Infinity 0.865965 Infinity
22513
289 pt 1.98065 6.69714 -10.83125 -Infinity 1.515989 -Infinity
22514
290 pt 2.12094 8.35921 -11.71946 Infinity 1.337377 Infinity
22515
291 pt 3.13423 6.68224 -9.33456 Infinity 1.678439 Infinity
22516
292 pt -3.42677 11.77691 -8.96846 -Infinity 1.359528 -Infinity
22517
293 pt -1.84671 12.20825 -8.02590 Infinity 1.431733 Infinity
22518
294 pt -4.79613 12.98915 -8.49266 Infinity 1.255407 Infinity
22519
295 pt -1.69243 17.86562 -20.75919 -Infinity 0.657141 -Infinity
22520
296 pt -2.77250 16.31592 -20.70485 Infinity 0.680597 Infinity
22521
297 pt -2.14218 18.89518 -22.27866 Infinity 0.610600 Infinity
22522
298 pt 2.49167 11.35979 -13.31685 -Infinity 1.080692 -Infinity
22523
299 pt 4.29097 11.88123 -13.56527 Infinity 1.017084 Infinity
22524
300 pt 1.45574 12.86995 -12.85066 Infinity 1.058181 Infinity
22525
301 pt 4.15256 19.68008 -14.52764 -Infinity 0.745132 -Infinity
22526
302 pt 4.10427 19.22717 -16.36166 Infinity 0.716203 Infinity
22527
303 pt 3.17471 18.40254 -13.53630 Infinity 0.812438 Infinity
22528
304 pt -5.34369 9.06368 -13.58436 -Infinity 1.103174 -Infinity
22529
305 pt -4.56429 10.12334 -12.22763 Infinity 1.179216 Infinity
22530
306 pt -7.21175 9.34767 -13.61184 Infinity 1.042471 Infinity
22531
307 pt 5.51909 12.74785 -7.79960 -Infinity 1.249233 -Infinity
22532
308 pt 6.84907 11.60317 -8.50099 Infinity 1.220123 Infinity
22533
309 pt 6.04110 14.54720 -8.04639 Infinity 1.103529 Infinity
22534
310 pt 7.55422 17.69529 -8.34983 -Infinity 0.900769 -Infinity
22535
311 pt 8.93124 16.86297 -7.35880 Infinity 0.919051 Infinity
22536
312 pt 8.25716 18.35595 -9.97479 Infinity 0.828732 Infinity
22537
313 pt 12.51264 8.26325 -17.98030 -Infinity 0.732403 -Infinity
22538
314 pt 12.76237 7.06115 -19.41684 Infinity 0.698291 Infinity
22539
315 pt 12.89628 10.02201 -18.55534 Infinity 0.697310 Infinity
22540
316 pt 15.15863 14.50952 -15.18404 -Infinity 0.674535 -Infinity
22541
317 pt 14.53013 13.69591 -16.76964 Infinity 0.667955 Infinity
22542
318 pt 16.96768 15.00892 -15.40540 Infinity 0.632446 Infinity
22543
319 pt 11.69218 13.42587 -11.37740 -Infinity 0.854928 -Infinity
22544
320 pt 13.10789 13.80737 -12.56957 Infinity 0.780217 Infinity
22545
321 pt 12.02057 14.26793 -9.71784 Infinity 0.862748 Infinity
22546
322 pt 19.34256 17.78522 -10.15275 -Infinity 0.615314 -Infinity
22547
323 pt 20.00732 18.81386 -11.59186 Infinity 0.579786 Infinity
22548
324 pt 17.61206 18.38881 -9.69218 Infinity 0.642714 Infinity
22549
325 pt 14.81918 20.47538 -9.64207 -Infinity 0.657796 -Infinity
22550
326 pt 12.98029 20.09686 -9.42698 Infinity 0.700008 Infinity
22551
327 pt 15.06825 21.53920 -11.18392 Infinity 0.620308 Infinity
22552
328 pt 14.98955 21.15042 -20.51346 -Infinity 0.525924 -Infinity
22553
329 pt 16.21383 22.53864 -20.89426 Infinity 0.498406 Infinity
22554
330 pt 13.51704 21.26685 -21.69211 Infinity 0.523668 Infinity
22555
331 pt 13.89712 12.83427 -19.90002 -Infinity 0.629013 -Infinity
22556
332 pt 15.54440 12.73369 -20.82058 Infinity 0.591810 Infinity
22557
333 pt 12.66678 13.84581 -20.91694 Infinity 0.617123 Infinity
22558
334 pt 19.90034 11.17125 -7.01999 -Infinity 0.710133 -Infinity
22559
335 pt 21.11668 11.41634 -8.44530 Infinity 0.663389 Infinity
22560
336 pt 19.66644 12.80632 -6.10191 Infinity 0.704827 Infinity
22561
337 pt 15.86282 7.87100 -13.98277 -Infinity 0.752202 -Infinity
22562
338 pt 14.54451 7.97822 -15.33245 Infinity 0.755247 Infinity
22563
339 pt 17.31754 8.99067 -14.43131 Infinity 0.698495 Infinity
22564
340 pt 16.39531 7.65074 -8.74055 -Infinity 0.843535 -Infinity
22565
341 pt 16.02372 7.79584 -10.58769 Infinity 0.820239 Infinity
22566
342 pt 17.57354 9.03470 -8.22337 Infinity 0.793818 Infinity
22567
343 pt 7.35608 12.96702 -14.14013 -Infinity 0.894734 -Infinity
22568
344 pt 7.55487 14.02914 -15.69044 Infinity 0.813302 Infinity
22569
345 pt 8.83941 13.23158 -12.99959 Infinity 0.892326 Infinity
22570
346 pt 9.16161 19.75391 -12.73446 -Infinity 0.723144 -Infinity
22571
347 pt 10.48547 19.52301 -14.06304 Infinity 0.687112 Infinity
22572
348 pt 7.45223 19.75261 -13.54011 Infinity 0.731031 Infinity
22573
349 pt 19.08925 7.72274 -19.74208 -Infinity 0.584299 -Infinity
22574
350 pt 19.73373 8.29799 -21.42279 Infinity 0.550005 Infinity
22575
351 pt 18.67397 5.88095 -19.82230 Infinity 0.594138 Infinity
22576
352 pt 19.79484 20.54218 -14.54924 -Infinity 0.539462 -Infinity
22577
353 pt 20.98732 21.54741 -15.61628 Infinity 0.507345 Infinity
22578
354 pt 18.17466 21.49346 -14.34631 Infinity 0.550675 Infinity
22579
355 pt 8.64407 15.94060 -18.12352 -Infinity 0.697342 -Infinity
22580
356 pt 9.97504 17.12270 -17.48931 Infinity 0.675085 Infinity
22581
357 pt 8.94245 15.57806 -19.95398 Infinity 0.659203 Infinity
22582
358 pt 8.82622 8.03342 -14.40719 -Infinity 0.948717 -Infinity
22583
359 pt 8.04678 9.75450 -14.44491 Infinity 0.940285 Infinity
22584
360 pt 10.17959 7.92476 -15.72158 Infinity 0.858338 Infinity
22585
361 pt 9.29214 9.05886 -9.37471 -Infinity 1.150378 -Infinity
22586
362 pt 10.64707 10.37537 -9.41985 Infinity 1.035959 Infinity
22587
363 pt 9.11064 8.28127 -11.08745 Infinity 1.094025 Infinity
22588
364 pt 12.59656 18.81072 -16.48613 -Infinity 0.632534 -Infinity
22589
365 pt 13.51634 19.77220 -17.82800 Infinity 0.588885 Infinity
22590
366 pt 13.68233 17.39219 -15.86974 Infinity 0.648022 Infinity
22591
367 pt 19.85628 15.93881 -16.90093 -Infinity 0.559892 -Infinity
22592
368 pt 19.89661 16.39178 -18.73512 Infinity 0.535940 Infinity
22593
369 pt 20.11658 17.49494 -15.86085 Infinity 0.553333 Infinity
22594
370 pt 20.01751 10.81339 -15.74687 -Infinity 0.609956 -Infinity
22595
371 pt 19.77094 9.70771 -17.25939 Infinity 0.600355 Infinity
22596
372 pt 20.13893 12.61719 -16.29698 Infinity 0.588688 Infinity
22597
373 pt -10.99968 -18.26661 -1.58808 -Infinity 0.660318 -Infinity
22598
374 pt -12.19107 -16.96496 -0.91182 Infinity 0.677579 Infinity
22599
375 pt -9.67838 -17.42441 -2.64446 Infinity 0.696623 Infinity
22600
376 pt -17.07080 -16.08783 3.90721 -Infinity 0.611887 -Infinity
22601
377 pt -15.88624 -15.62041 2.51100 Infinity 0.644707 Infinity
22602
378 pt -17.82564 -14.52057 4.64544 Infinity 0.623892 Infinity
22603
379 pt -7.64994 -15.34519 -4.31920 -Infinity 0.780858 -Infinity
22604
380 pt -5.84107 -15.10079 -3.83000 Infinity 0.814727 Infinity
22605
381 pt -8.56352 -13.69507 -4.20282 Infinity 0.828772 Infinity
22606
382 pt -18.71630 -16.46945 -4.51890 -Infinity 0.586956 -Infinity
22607
383 pt -19.33053 -15.17988 -3.28165 Infinity 0.601142 Infinity
22608
384 pt -19.81723 -16.44500 -6.05462 Infinity 0.567021 Infinity
22609
385 pt -9.86959 -10.73166 -3.77464 -Infinity 0.926271 -Infinity
22610
386 pt -8.61634 -10.35968 -2.41008 Infinity 0.990995 Infinity
22611
387 pt -11.58605 -10.16114 -3.22750 Infinity 0.902696 Infinity
22612
388 pt -10.02696 -11.78005 3.35277 -Infinity 0.861680 -Infinity
22613
389 pt -8.56512 -11.65388 2.16189 Infinity 0.913942 Infinity
22614
390 pt -10.23775 -10.14074 4.26890 Infinity 0.909000 Infinity
22615
391 pt -13.61008 -14.11729 0.31874 -Infinity 0.726583 -Infinity
22616
392 pt -12.36111 -13.30659 1.48231 Infinity 0.771181 Infinity
22617
393 pt -14.28237 -12.82482 -0.88484 Infinity 0.748737 Infinity
22618
394 pt -18.89261 -11.57907 5.90763 -Infinity 0.645974 -Infinity
22619
395 pt -17.49434 -10.44890 6.48955 Infinity 0.688764 Infinity
22620
396 pt -19.96409 -10.66111 4.65051 Infinity 0.647425 Infinity
22621
397 pt -17.70218 -20.26346 6.80337 -Infinity 0.526201 -Infinity
22622
398 pt -18.03019 -19.65004 8.56041 Infinity 0.522483 Infinity
22623
399 pt -17.52638 -18.78388 5.64104 Infinity 0.554364 Infinity
22624
400 pt -16.47246 -7.48584 1.83767 -Infinity 0.818275 -Infinity
22625
401 pt -15.80450 -7.69951 3.59244 Infinity 0.821058 Infinity
22626
402 pt -18.32420 -7.86229 1.81723 Infinity 0.751685 Infinity
22627
403 pt -10.83497 -16.28225 6.09076 -Infinity 0.681157 -Infinity
22628
404 pt -10.06538 -17.55499 4.92502 Infinity 0.668042 Infinity
22629
405 pt -10.60359 -14.54909 5.37405 Infinity 0.737084 Infinity
22630
406 pt -14.75557 -9.61318 -2.50355 -Infinity 0.824860 -Infinity
22631
407 pt -15.44173 -8.47197 -3.84441 Infinity 0.828566 Infinity
22632
408 pt -15.26900 -8.96857 -0.80298 Infinity 0.829204 Infinity
22633
409 pt -15.26518 -7.85021 6.85560 -Infinity 0.791635 -Infinity
22634
410 pt -13.44181 -7.38501 6.68246 Infinity 0.861244 Infinity
22635
411 pt -16.24588 -6.34816 7.44987 Infinity 0.784564 Infinity
22636
412 pt -9.15424 -20.04408 2.90451 -Infinity 0.628123 -Infinity
22637
413 pt -9.72694 -21.82643 3.16195 Infinity 0.584751 Infinity
22638
414 pt -9.67200 -19.45720 1.18446 Infinity 0.642695 Infinity
22639
415 pt 4.74267 -10.87169 2.62625 -Infinity 1.005580 -Infinity
22640
416 pt 5.45500 -12.53613 3.16782 Infinity 0.899372 Infinity
22641
417 pt 5.78511 -9.47286 3.35265 Infinity 1.049087 Infinity
22642
418 pt 1.39275 -12.03776 -5.60165 -Infinity 0.972250 -Infinity
22643
419 pt 1.90538 -13.30985 -6.90167 Infinity 0.883369 Infinity
22644
420 pt 2.79702 -11.80475 -4.35876 Infinity 0.989451 Infinity
22645
421 pt -5.13487 -20.95870 6.01170 -Infinity 0.615809 -Infinity
22646
422 pt -4.30835 -22.59371 5.54839 Infinity 0.586183 Infinity
22647
423 pt -6.38205 -20.48107 4.67473 Infinity 0.628815 Infinity
22648
424 pt 0.80659 -14.65006 6.66275 -Infinity 0.803828 -Infinity
22649
425 pt 1.28665 -15.88752 5.31765 Infinity 0.775596 Infinity
22650
426 pt 0.34550 -12.99960 5.86621 Infinity 0.886345 Infinity
22651
427 pt 2.05853 -18.14118 3.17919 -Infinity 0.715990 -Infinity
22652
428 pt 2.05728 -19.83687 4.01328 Infinity 0.662219 Infinity
22653
429 pt 0.99265 -18.20419 1.62003 Infinity 0.725201 Infinity
22654
430 pt 5.51207 -11.81952 -2.46082 -Infinity 0.958256 -Infinity
22655
431 pt 5.14314 -11.37450 -0.66167 Infinity 0.994052 Infinity
22656
432 pt 6.27717 -13.54563 -2.53968 Infinity 0.861254 Infinity
22657
433 pt 3.41918 -19.86920 -3.86366 -Infinity 0.666337 -Infinity
22658
434 pt 3.58605 -20.32871 -5.68906 Infinity 0.646081 Infinity
22659
435 pt 3.85309 -21.36551 -2.79415 Infinity 0.628602 Infinity
22660
436 pt 6.55200 -15.50126 3.81193 -Infinity 0.761649 -Infinity
22661
437 pt 7.58645 -16.40599 5.10902 Infinity 0.710738 Infinity
22662
438 pt 5.02958 -16.53618 3.38501 Infinity 0.747175 Infinity
22663
439 pt -0.79117 -18.45813 -1.21440 -Infinity 0.724166 -Infinity
22664
440 pt 0.69402 -18.89518 -2.29804 Infinity 0.707870 Infinity
22665
441 pt -2.03087 -19.88419 -1.23804 Infinity 0.679114 Infinity
22666
442 pt -2.83514 -13.97802 -2.79863 -Infinity 0.897023 -Infinity
22667
443 pt -1.49243 -13.11318 -3.80871 Infinity 0.941155 Infinity
22668
444 pt -2.12837 -15.55077 -2.02531 Infinity 0.830309 Infinity
22669
445 pt -0.17203 -10.23513 4.23710 -Infinity 1.076317 -Infinity
22670
446 pt 1.57493 -10.29568 3.51908 Infinity 1.077962 Infinity
22671
447 pt -1.26912 -9.15871 3.13766 Infinity 1.186119 Infinity
22672
448 pt -6.12880 -10.84942 -0.06949 -Infinity 1.031674 -Infinity
22673
449 pt -4.94126 -12.04294 -0.92758 Infinity 0.984466 Infinity
22674
450 pt -5.18620 -9.30540 0.47693 Infinity 1.160431 Infinity
22675
451 pt 7.76594 -7.18959 4.61044 -Infinity 1.079980 -Infinity
22676
452 pt 9.38303 -7.68422 3.76697 Infinity 1.009940 Infinity
22677
453 pt 8.12044 -6.64729 6.38563 Infinity 1.038842 Infinity
22678
454 pt 17.83897 -21.01184 -0.73854 -Infinity 0.520138 -Infinity
22679
455 pt 16.80790 -21.52332 0.76024 Infinity 0.522386 Infinity
22680
456 pt 17.74487 -19.13740 -0.95913 Infinity 0.547565 Infinity
22681
457 pt 10.07093 -19.79978 0.44167 -Infinity 0.620419 -Infinity
22682
458 pt 8.83643 -20.63445 1.60374 Infinity 0.611345 Infinity
22683
459 pt 11.72874 -19.59349 1.32495 Infinity 0.606119 Infinity
22684
460 pt 17.98743 -20.08070 -6.03327 -Infinity 0.524295 -Infinity
22685
461 pt 16.66569 -20.87590 -7.12493 Infinity 0.523394 Infinity
22686
462 pt 17.82057 -20.72966 -4.26633 Infinity 0.521333 Infinity
22687
463 pt 16.77525 -16.03409 -1.64683 -Infinity 0.610013 -Infinity
22688
464 pt 16.47124 -16.29721 -3.49329 Infinity 0.607550 Infinity
22689
465 pt 15.31646 -15.09775 -0.89434 Infinity 0.651370 Infinity
22690
466 pt 21.35336 -8.75224 2.25154 -Infinity 0.630621 -Infinity
22691
467 pt 20.93490 -10.03376 0.92728 Infinity 0.626546 Infinity
22692
468 pt 20.19564 -7.26835 2.08173 Infinity 0.676952 Infinity
22693
469 pt 20.71899 -12.57733 -1.40614 -Infinity 0.598226 -Infinity
22694
470 pt 19.86520 -11.24478 -2.43881 Infinity 0.632416 Infinity
22695
471 pt 19.53433 -14.02551 -1.14081 Infinity 0.598154 Infinity
22696
472 pt 8.75087 -8.62862 -5.08557 -Infinity 1.003269 -Infinity
22697
473 pt 7.48725 -9.63914 -4.10925 Infinity 1.009042 Infinity
22698
474 pt 7.93411 -7.92844 -6.63919 Infinity 1.036913 Infinity
22699
475 pt 13.08366 -11.32575 -4.44227 -Infinity 0.778906 -Infinity
22700
476 pt 11.55390 -10.28202 -4.81850 Infinity 0.848869 Infinity
22701
477 pt 12.89098 -12.13971 -2.74775 Infinity 0.768724 Infinity
22702
478 pt 12.69838 -8.82504 2.88454 -Infinity 0.859008 -Infinity
22703
479 pt 13.18539 -8.66080 4.70303 Infinity 0.827831 Infinity
22704
480 pt 13.06531 -7.20456 1.98426 Infinity 0.905053 Infinity
22705
481 pt 7.36719 -16.67953 -2.84946 -Infinity 0.730637 -Infinity
22706
482 pt 5.80780 -17.68136 -3.21786 Infinity 0.715312 Infinity
22707
483 pt 8.43288 -17.60911 -1.59597 Infinity 0.692882 Infinity
22708
484 pt 17.75987 -9.22626 -3.76190 -Infinity 0.709875 -Infinity
22709
485 pt 16.06502 -10.02624 -4.00391 Infinity 0.736686 Infinity
22710
486 pt 17.67786 -7.40816 -4.27066 Infinity 0.742498 Infinity
22711
487 pt 10.41882 -17.56457 -7.19972 -Infinity 0.648697 -Infinity
22712
488 pt 11.16523 -19.14732 -6.48640 Infinity 0.610628 Infinity
22713
489 pt 9.21856 -16.81329 -5.94830 Infinity 0.689526 Infinity
22714
490 pt 14.38790 -19.25402 3.15836 -Infinity 0.578274 -Infinity
22715
491 pt 15.53909 -17.75699 3.08954 Infinity 0.590430 Infinity
22716
492 pt 14.13496 -19.77326 4.95766 Infinity 0.565511 Infinity
22717
493 pt 12.70381 -13.36246 0.30647 -Infinity 0.740142 -Infinity
22718
494 pt 11.22976 -14.37810 0.91205 Infinity 0.739527 Infinity
22719
495 pt 12.80397 -11.74968 1.28626 Infinity 0.779491 Infinity
22720
496 pt -21.21180 -2.74342 -5.23850 -Infinity 0.728751 -Infinity
22721
497 pt -20.62476 -1.83650 -6.78897 Infinity 0.743623 Infinity
22722
498 pt -22.97513 -3.36926 -5.50320 Infinity 0.670963 Infinity
22723
499 pt -9.82232 2.07296 -3.93728 -Infinity 1.647660 -Infinity
22724
500 pt -11.01994 2.75651 -5.22938 Infinity 1.426452 Infinity
22725
501 pt -8.05360 2.54912 -4.40199 Infinity 1.959781 Infinity
22726
502 pt -7.84151 2.66261 6.20739 -Infinity 1.551194 -Infinity
22727
503 pt -6.93542 2.18133 4.62043 Infinity 1.858196 Infinity
22728
504 pt -9.69637 2.77751 5.86481 Infinity 1.395913 Infinity
22729
505 pt -15.02452 -3.39130 -0.90325 -Infinity 1.000837 -Infinity
22730
506 pt -15.72494 -4.71162 0.25313 Infinity 0.926342 Infinity
22731
507 pt -15.44519 -3.83184 -2.69212 Infinity 0.961396 Infinity
22732
508 pt -15.66196 5.16383 -2.15388 -Infinity 1.054213 -Infinity
22733
509 pt -17.37758 4.68689 -2.78654 Infinity 0.946877 Infinity
22734
510 pt -14.89419 3.69588 -1.24464 Infinity 1.120909 Infinity
22735
511 pt -13.07772 1.29945 0.05333 -Infinity 1.261434 -Infinity
22736
512 pt -11.72340 1.54470 -1.24155 Infinity 1.422874 Infinity
22737
513 pt -13.91135 -0.37511 -0.21494 Infinity 1.153930 Infinity
22738
514 pt -13.04246 2.70863 5.09848 -Infinity 1.150809 -Infinity
22739
515 pt -13.00608 2.23877 3.26846 Infinity 1.213733 Infinity
22740
516 pt -14.21234 1.54894 6.02452 Infinity 1.033918 Infinity
22741
517 pt -20.06185 3.36756 -3.83526 -Infinity 0.813916 -Infinity
22742
518 pt -21.27055 3.45180 -5.28543 Infinity 0.758253 Infinity
22743
519 pt -20.58940 1.99067 -2.65334 Infinity 0.795590 Infinity
22744
520 pt -10.48376 -4.41583 1.33637 -Infinity 1.241080 -Infinity
22745
521 pt -12.10644 -4.03166 0.44733 Infinity 1.156672 Infinity
22746
522 pt -9.03436 -3.76488 0.31335 Infinity 1.427602 Infinity
22747
523 pt -13.47418 4.66642 -6.82685 -Infinity 1.131159 -Infinity
22748
524 pt -14.38485 4.95984 -5.19724 Infinity 1.107154 Infinity
22749
525 pt -14.72483 4.26214 -8.18461 Infinity 1.010395 Infinity
22750
526 pt -16.69766 -5.62401 -5.35629 -Infinity 0.841234 -Infinity
22751
527 pt -18.39313 -4.79005 -5.38768 Infinity 0.795144 Infinity
22752
528 pt -15.56949 -4.80818 -6.63407 Infinity 0.887564 Infinity
22753
529 pt -10.19209 -6.99027 5.65690 -Infinity 1.014329 -Infinity
22754
530 pt -10.38527 -6.03817 4.03602 Infinity 1.094363 Infinity
22755
531 pt -8.51457 -6.58844 6.42861 Infinity 1.073038 Infinity
22756
532 pt 5.52734 2.65018 -4.06081 -Infinity 2.355236 -Infinity
22757
533 pt 6.34992 3.17819 -2.44352 Infinity 2.304590 Infinity
22758
534 pt 5.39301 4.13966 -5.21600 Infinity 2.230796 Infinity
22759
535 pt -1.59998 -3.19213 4.38453 -Infinity 1.816031 -Infinity
22760
536 pt -1.72705 -1.30804 4.45606 Infinity 2.126468 Infinity
22761
537 pt 0.21915 -3.69986 4.32091 Infinity 1.743719 Infinity
22762
538 pt -4.89845 3.24664 -4.94594 -Infinity 2.766220 -Infinity
22763
539 pt -5.04993 5.07011 -5.41826 Infinity 2.482019 Infinity
22764
540 pt -3.65144 3.06098 -3.53826 Infinity 4.118194 Infinity
22765
541 pt 0.58718 1.91583 5.69941 -Infinity 2.237705 -Infinity
22766
542 pt 0.31995 3.74597 6.08701 Infinity 2.194522 Infinity
22767
543 pt 2.28201 1.68175 4.89702 Infinity 2.307892 Infinity
22768
544 pt -3.04631 -6.84232 1.07754 -Infinity 1.460511 -Infinity
22769
545 pt -2.80643 -6.13163 -0.65694 Infinity 1.599002 Infinity
22770
546 pt -2.69032 -5.50348 2.36278 Infinity 1.604821 Infinity
22771
547 pt -7.05546 -2.18730 -1.77826 -Infinity 1.862421 -Infinity
22772
548 pt -7.91523 -1.09036 -3.05442 Infinity 1.816534 Infinity
22773
549 pt -5.46350 -2.88702 -2.51795 Infinity 1.960553 Infinity
22774
550 pt -2.43542 -4.22639 -3.42351 -Infinity 1.903242 -Infinity
22775
551 pt -2.14911 -5.47095 -4.81640 Infinity 1.602839 Infinity
22776
552 pt -1.03004 -2.96317 -3.40733 Infinity 2.267225 Infinity
22777
553 pt -5.62540 6.77327 1.45779 -Infinity 2.444822 -Infinity
22778
554 pt -6.71564 7.49078 0.09118 Infinity 2.157982 Infinity
22779
555 pt -5.83193 4.89557 1.50918 Infinity 2.682099 Infinity
22780
556 pt -5.66761 1.48078 1.69969 -Infinity 2.661149 -Infinity
22781
557 pt -3.99803 1.86384 0.90168 Infinity 3.921299 Infinity
22782
558 pt -6.51875 0.08951 0.74522 Infinity 2.297510 Infinity
22783
559 pt 1.93983 -1.34673 -4.30052 -Infinity 2.431970 -Infinity
22784
560 pt 3.24881 -0.00474 -4.06243 Infinity 2.590101 Infinity
22785
561 pt 2.26749 -2.26789 -5.91767 Infinity 1.939890 Infinity
22786
562 pt 5.34740 1.04911 3.70806 -Infinity 2.000383 -Infinity
22787
563 pt 5.98807 2.14295 2.30658 Infinity 2.153721 Infinity
22788
564 pt 6.65138 0.94237 5.07161 Infinity 1.629622 Infinity
22789
565 pt 3.61045 -3.88127 4.41978 -Infinity 1.561299 -Infinity
22790
566 pt 4.99831 -5.15293 4.25307 Infinity 1.364957 Infinity
22791
567 pt 4.23642 -2.18747 3.86278 Infinity 1.766112 Infinity
22792
568 pt 16.55097 -4.56506 -5.66586 -Infinity 0.820284 -Infinity
22793
569 pt 16.10196 -5.29853 -7.34856 Infinity 0.803596 Infinity
22794
570 pt 14.97084 -4.12477 -4.72756 Infinity 0.902572 Infinity
22795
571 pt 12.32971 3.20156 -0.44969 -Infinity 1.248140 -Infinity
22796
572 pt 12.49368 2.07324 1.05732 Infinity 1.208482 Infinity
22797
573 pt 14.03884 3.51407 -1.19286 Infinity 1.102478 Infinity
22798
574 pt 12.85317 0.36474 3.80637 -Infinity 1.096671 -Infinity
22799
575 pt 11.46498 0.47508 5.08379 Infinity 1.157246 Infinity
22800
576 pt 14.32247 1.40562 4.37978 Infinity 1.003410 Infinity
22801
577 pt 16.39479 3.96921 5.44343 -Infinity 0.884002 -Infinity
22802
578 pt 15.99965 5.80755 5.25527 Infinity 0.899609 Infinity
22803
579 pt 16.08582 3.43710 7.23018 Infinity 0.862794 Infinity
22804
580 pt 21.27511 3.59127 3.64660 -Infinity 0.718214 -Infinity
22805
581 pt 19.48458 3.60096 4.25074 Infinity 0.773864 Infinity
22806
582 pt 21.52870 2.15276 2.44767 Infinity 0.715624 Infinity
22807
583 pt 17.24671 3.47791 -2.06960 -Infinity 0.900837 -Infinity
22808
584 pt 18.23150 2.11585 -1.20587 Infinity 0.851595 Infinity
22809
585 pt 17.41554 3.28790 -3.94216 Infinity 0.882159 Infinity
22810
586 pt 18.49163 -4.12969 2.42118 -Infinity 0.767866 -Infinity
22811
587 pt 16.73931 -4.20484 1.71775 Infinity 0.834643 Infinity
22812
588 pt 18.41264 -4.09162 4.30887 Infinity 0.756489 Infinity
22813
589 pt 7.53362 4.48709 0.40319 -Infinity 1.972579 -Infinity
22814
590 pt 7.59394 6.06598 1.43978 Infinity 1.836609 Infinity
22815
591 pt 9.29032 3.97405 -0.06782 Infinity 1.635930 Infinity
22816
592 pt 20.65244 -0.46885 -0.62063 -Infinity 0.742080 -Infinity
22817
593 pt 21.10057 -1.36666 -2.22194 Infinity 0.720206 Infinity
22818
594 pt 19.94422 -1.70633 0.61958 Infinity 0.754289 Infinity
22819
595 pt 13.52236 -4.06889 1.02423 -Infinity 0.989398 -Infinity
22820
596 pt 13.09223 -2.48991 1.96916 Infinity 1.049805 Infinity
22821
597 pt 12.74065 -4.00799 -0.69515 Infinity 1.043454 Infinity
22822
598 pt 9.09704 -0.64340 -6.27017 -Infinity 1.359561 -Infinity
22823
599 pt 7.84479 0.56102 -5.52700 Infinity 1.602451 Infinity
22824
600 pt 9.85197 0.11318 -7.82861 Infinity 1.241469 Infinity
22825
601 pt 11.56986 -4.32760 -3.74553 -Infinity 1.084148 -Infinity
22826
602 pt 10.70349 -2.87571 -4.58961 Infinity 1.187094 Infinity
22827
603 pt 10.59350 -5.91459 -4.06058 Infinity 1.066366 Infinity
22828
604 pt -14.37489 14.79242 2.86236 -Infinity 0.876957 -Infinity
22829
605 pt -15.47905 14.28163 1.41633 Infinity 0.862791 Infinity
22830
606 pt -15.30360 14.53324 4.48759 Infinity 0.832927 Infinity
22831
607 pt -12.43159 7.91279 5.06400 -Infinity 1.139113 -Infinity
22832
608 pt -12.77934 6.05655 5.13126 Infinity 1.150639 Infinity
22833
609 pt -13.04588 8.61060 3.41878 Infinity 1.127856 Infinity
22834
610 pt -20.46169 8.37994 1.57147 -Infinity 0.775812 -Infinity
22835
611 pt -21.62530 8.42578 0.08319 Infinity 0.739812 Infinity
22836
612 pt -20.40129 6.62564 2.27134 Infinity 0.787227 Infinity
22837
613 pt -10.86253 18.03315 4.58917 -Infinity 0.857146 -Infinity
22838
614 pt -11.65102 19.20656 5.84314 Infinity 0.784146 Infinity
22839
615 pt -12.20396 16.96660 3.79288 Infinity 0.868127 Infinity
22840
616 pt -7.62737 9.69352 5.20704 -Infinity 1.414603 -Infinity
22841
617 pt -9.43534 9.14440 5.23532 Infinity 1.305318 Infinity
22842
618 pt -6.70479 8.75733 3.84929 Infinity 1.687317 Infinity
22843
619 pt -7.64288 14.62157 6.82715 -Infinity 1.041495 -Infinity
22844
620 pt -8.81641 15.74997 5.86768 Infinity 0.981183 Infinity
22845
621 pt -7.64053 12.90166 6.04423 Infinity 1.163301 Infinity
22846
622 pt -20.78287 18.64525 -0.96946 -Infinity 0.634211 -Infinity
22847
623 pt -22.28411 19.79289 -0.95372 Infinity 0.590043 Infinity
22848
624 pt -20.09734 18.47902 0.78367 Infinity 0.649032 Infinity
22849
625 pt -18.03100 12.78636 -0.37095 -Infinity 0.809598 -Infinity
22850
626 pt -18.79745 11.19558 0.30215 Infinity 0.807851 Infinity
22851
627 pt -19.39683 14.04200 -0.73005 Infinity 0.742339 Infinity
22852
628 pt -19.67272 18.34854 4.18055 -Infinity 0.646930 -Infinity
22853
629 pt -19.07924 19.95700 4.97534 Infinity 0.628258 Infinity
22854
630 pt -18.93728 16.87666 5.10994 Infinity 0.680147 Infinity
22855
631 pt -7.81325 14.55535 -7.57302 -Infinity 1.087768 -Infinity
22856
632 pt -7.71586 15.21064 -5.80322 Infinity 1.104122 Infinity
22857
633 pt -9.55650 13.90917 -7.91153 Infinity 1.042973 Infinity
22858
634 pt -12.91441 19.83868 -2.99521 -Infinity 0.779113 -Infinity
22859
635 pt -14.66085 20.20473 -3.61733 Infinity 0.728291 Infinity
22860
636 pt -12.10797 21.44068 -2.39995 Infinity 0.749920 Infinity
22861
637 pt -8.87651 13.43904 0.41749 -Infinity 1.227499 -Infinity
22862
638 pt -10.53224 13.62310 1.30953 Infinity 1.111754 Infinity
22863
639 pt -8.81463 11.76605 -0.45907 Infinity 1.368771 Infinity
22864
640 pt -13.92399 9.28412 0.20915 -Infinity 1.097473 -Infinity
22865
641 pt -15.16843 10.67923 -0.06670 Infinity 0.983275 Infinity
22866
642 pt -14.55154 7.70588 -0.61934 Infinity 1.098202 Infinity
22867
643 pt -8.63772 8.92542 -2.02870 -Infinity 1.639970 -Infinity
22868
644 pt -10.49541 8.60703 -2.16541 Infinity 1.430127 Infinity
22869
645 pt -7.82600 8.65782 -3.71410 Infinity 1.724156 Infinity
22870
646 pt -8.36040 17.33962 -2.88347 -Infinity 1.002538 -Infinity
22871
647 pt -8.42212 15.95094 -1.60331 Infinity 1.087450 Infinity
22872
648 pt -10.04027 18.20167 -2.96072 Infinity 0.911055 Infinity
22873
649 pt -17.64123 21.10228 -4.49204 -Infinity 0.647143 -Infinity
22874
650 pt -17.92000 22.97121 -4.47104 Infinity 0.609223 Infinity
22875
651 pt -18.78677 20.27931 -3.23444 Infinity 0.644411 Infinity
22876
652 pt -14.54615 14.75842 -4.13199 -Infinity 0.880002 -Infinity
22877
653 pt -14.06073 16.47724 -3.51467 Infinity 0.848680 Infinity
22878
654 pt -15.86939 14.03048 -2.99612 Infinity 0.858023 Infinity
22879
655 pt -1.04547 8.94461 2.24426 -Infinity 2.483261 -Infinity
22880
656 pt -2.65228 8.05143 1.80667 Infinity 2.723963 Infinity
22881
657 pt -0.44574 8.36916 3.94139 Infinity 2.277845 Infinity
22882
658 pt 5.16522 13.32435 6.05069 -Infinity 1.201723 -Infinity
22883
659 pt 7.05463 13.29978 6.07463 Infinity 1.126670 Infinity
22884
660 pt 4.50206 12.01566 7.24174 Infinity 1.245152 Infinity
22885
661 pt 1.96910 11.73570 -0.97374 -Infinity 1.883071 -Infinity
22886
662 pt 1.09769 10.57958 0.24079 Infinity 2.188573 Infinity
22887
663 pt 3.83433 11.67278 -0.67705 Infinity 1.754083 Infinity
22888
664 pt 0.76221 12.80529 -5.83950 -Infinity 1.531737 -Infinity
22889
665 pt 1.04272 12.24136 -4.05782 Infinity 1.725616 Infinity
22890
666 pt 2.40925 12.81186 -6.76594 Infinity 1.429492 Infinity
22891
667 pt 0.15059 17.50823 -3.76919 -Infinity 1.126876 -Infinity
22892
668 pt 1.73852 17.89860 -2.82200 Infinity 1.097071 Infinity
22893
669 pt 0.21632 15.73001 -4.40532 Infinity 1.268269 Infinity
22894
670 pt -3.54340 13.76943 1.45820 -Infinity 1.456734 -Infinity
22895
671 pt -2.76154 12.05154 1.55112 Infinity 1.734669 Infinity
22896
672 pt -5.38987 13.60331 1.09210 Infinity 1.402754 Infinity
22897
673 pt 2.22947 15.85313 2.70721 -Infinity 1.218877 -Infinity
22898
674 pt 1.35257 14.64546 1.54805 Infinity 1.387979 Infinity
22899
675 pt 3.30640 14.88961 3.92496 Infinity 1.237619 Infinity
22900
676 pt 2.11694 20.02867 5.67846 -Infinity 0.890292 -Infinity
22901
677 pt 1.23628 19.78641 7.33279 Infinity 0.872188 Infinity
22902
678 pt 1.84633 18.50717 4.59087 Infinity 0.991395 Infinity
22903
679 pt -6.69631 19.79336 -7.29379 -Infinity 0.867693 -Infinity
22904
680 pt -6.97534 19.52589 -5.44402 Infinity 0.900811 Infinity
22905
681 pt -7.32278 18.28887 -8.25041 Infinity 0.902255 Infinity
22906
682 pt -3.80620 20.07663 -1.62115 -Infinity 0.949880 -Infinity
22907
683 pt -2.40307 18.98148 -2.25592 Infinity 1.027373 Infinity
22908
684 pt -5.40946 19.07797 -1.56379 Infinity 0.982847 Infinity
22909
685 pt 7.18690 20.33000 4.21037 -Infinity 0.835691 -Infinity
22910
686 pt 5.40864 20.09777 4.80613 Infinity 0.865605 Infinity
22911
687 pt 7.75830 18.77156 3.30712 Infinity 0.898724 Infinity
22912
688 pt 4.39486 18.66935 -1.00449 -Infinity 1.010381 -Infinity
22913
689 pt 6.23181 18.23115 -0.93610 Infinity 0.994774 Infinity
22914
690 pt 3.49555 17.84562 0.43904 Infinity 1.075864 Infinity
22915
691 pt -5.81882 7.99776 -6.42800 -Infinity 1.826572 -Infinity
22916
692 pt -4.63192 9.19516 -7.28157 Infinity 1.708415 Infinity
22917
693 pt -7.52205 8.11254 -7.23849 Infinity 1.542096 Infinity
22918
694 pt 5.30554 7.12042 -6.74314 -Infinity 1.824859 -Infinity
22919
695 pt 6.93618 7.44347 -7.64186 Infinity 1.512155 Infinity
22920
696 pt 4.65091 8.73987 -6.02210 Infinity 1.837341 Infinity
22921
697 pt -3.27418 16.92821 5.59101 -Infinity 1.052396 -Infinity
22922
698 pt -2.79925 16.12487 3.94780 Infinity 1.164500 Infinity
22923
699 pt -4.83241 16.10238 6.26998 Infinity 1.054060 Infinity
22924
700 pt 10.51265 12.75894 5.91016 -Infinity 1.006350 -Infinity
22925
701 pt 11.46424 14.06123 4.92549 Infinity 0.944025 Infinity
22926
702 pt 11.55876 12.18779 7.37662 Infinity 0.940260 Infinity
22927
703 pt 21.02070 11.18784 5.73522 -Infinity 0.672492 -Infinity
22928
704 pt 21.66293 9.94317 4.46660 Infinity 0.675426 Infinity
22929
705 pt 20.70563 10.30874 7.37808 Infinity 0.672946 Infinity
22930
706 pt 11.20935 10.51561 -3.38207 -Infinity 1.166450 -Infinity
22931
707 pt 11.48662 8.96445 -4.42520 Infinity 1.186845 Infinity
22932
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22933
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22934
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22935
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22936
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22937
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22938
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22939
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22940
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22941
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22942
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22943
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22944
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22945
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22946
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22947
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22948
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22949
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22950
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22951
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22952
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22953
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22955
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22956
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22957
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22958
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22959
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22960
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22961
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22962
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22963
739 pt 8.22941 8.58298 3.72196 -Infinity 1.446089 -Infinity
22964
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22965
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22966
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22967
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22968
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22969
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22970
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22971
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22972
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22973
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22974
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22975
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22976
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22977
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22978
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22979
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22980
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22981
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22982
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22983
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22984
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22985
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22986
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22987
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22988
764 pt -16.76575 -9.99752 12.24542 Infinity 0.640595 Infinity
22989
765 pt -18.70025 -7.62259 12.62511 Infinity 0.631727 Infinity
22990
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22991
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22992
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22993
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22994
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22995
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22996
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22997
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22998
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22999
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23000
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23001
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23002
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23003
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23004
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23005
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23006
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23007
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23009
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23010
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23011
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23012
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23013
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23014
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23015
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23018
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23019
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23020
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23021
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23022
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23023
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23024
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23025
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23026
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23027
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23028
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23029
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23030
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23031
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23032
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23033
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23034
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23035
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23036
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23037
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23038
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23039
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23040
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23041
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23042
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23043
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23044
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23045
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23046
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23047
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23048
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23049
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23050
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23051
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23052
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23053
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23054
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23055
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23056
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23057
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23058
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23059
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23060
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23061
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23062
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23063
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23064
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23065
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23066
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23067
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23068
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23069
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23070
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23071
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23072
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23073
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23074
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23076
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23077
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23078
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23079
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23080
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23081
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23082
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23084
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23085
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23086
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23087
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23088
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23089
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23090
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23091
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23092
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23093
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23094
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23095
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23096
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23097
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23098
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23099
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23100
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23120
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23184
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23186
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23187
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23189
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23191
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23192
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23193
969 pt 8.44483 -2.80181 16.71661 Infinity 0.763526 Infinity
23194
970 pt 9.02799 1.27669 7.27210 -Infinity 1.241018 -Infinity
23195
971 pt 8.88781 0.32553 8.89897 Infinity 1.133863 Infinity
23196
972 pt 8.66360 3.10569 7.57714 Infinity 1.268709 Infinity
23197
973 pt 10.01193 1.83640 20.06930 -Infinity 0.674927 -Infinity
23198
974 pt 8.23288 2.46530 19.96664 Infinity 0.700591 Infinity
23199
975 pt 11.18337 3.29652 20.32786 Infinity 0.655466 Infinity
23200
976 pt 13.02418 4.68106 14.39947 -Infinity 0.777005 -Infinity
23201
977 pt 14.17957 5.93938 15.20742 Infinity 0.725402 Infinity
23202
978 pt 12.54691 3.36003 15.66365 Infinity 0.753197 Infinity
23203
979 pt 20.48376 -0.73545 19.46277 -Infinity 0.538615 -Infinity
23204
980 pt 21.58442 -0.96892 20.98102 Infinity 0.506799 Infinity
23205
981 pt 20.28910 -2.38668 18.56465 Infinity 0.547055 Infinity
23206
982 pt 13.50882 -5.46813 15.27659 -Infinity 0.683635 -Infinity
23207
983 pt 13.04464 -6.89549 16.42475 Infinity 0.652148 Infinity
23208
984 pt 12.36482 -3.99951 15.60138 Infinity 0.713347 Infinity
23209
985 pt -8.55991 13.14493 11.60940 -Infinity 0.897696 -Infinity
23210
986 pt -9.33535 11.43121 11.42797 Infinity 0.929769 Infinity
23211
987 pt -8.19330 13.85605 9.89740 Infinity 0.946716 Infinity
23212
988 pt -10.43545 18.37425 18.47163 -Infinity 0.604936 -Infinity
23213
989 pt -10.09199 17.95506 20.28199 Infinity 0.582427 Infinity
23214
990 pt -10.76316 16.78284 17.50670 Infinity 0.640088 Infinity
23215
991 pt -11.44289 8.86335 17.26624 -Infinity 0.727539 -Infinity
23216
992 pt -12.84569 7.74335 16.67563 Infinity 0.727230 Infinity
23217
993 pt -11.11901 8.55414 19.10214 Infinity 0.685816 Infinity
23218
994 pt -11.82212 13.92481 15.61252 -Infinity 0.706133 -Infinity
23219
995 pt -11.79534 12.21857 16.42437 Infinity 0.709808 Infinity
23220
996 pt -10.65664 13.93414 14.12503 Infinity 0.761598 Infinity
23221
997 pt -17.72025 14.22438 6.78921 -Infinity 0.737931 -Infinity
23222
998 pt -19.25319 13.23264 6.30174 Infinity 0.717514 Infinity
23223
999 pt -17.17041 13.72294 8.52625 Infinity 0.736838 Infinity
23224
1000 pt -16.78834 12.13248 11.60121 -Infinity 0.717181 -Infinity
23225
1001 pt -17.48321 10.39515 11.86562 Infinity 0.715115 Infinity
23226
1002 pt -14.97900 12.17781 12.14460 Infinity 0.748203 Infinity
23227
1003 pt -11.12436 8.79082 10.23755 -Infinity 0.978445 -Infinity
23228
1004 pt -11.71704 8.82647 8.44353 Infinity 1.026207 Infinity
23229
1005 pt -11.29065 7.03736 10.92225 Infinity 0.971055 Infinity
23230
1006 pt -21.45665 14.31251 12.50300 -Infinity 0.589519 -Infinity
23231
1007 pt -21.54124 15.99498 13.35929 Infinity 0.564545 Infinity
23232
1008 pt -19.64975 13.79705 12.30187 Infinity 0.628430 Infinity
23233
1009 pt -16.10635 17.16408 16.42907 -Infinity 0.590746 -Infinity
23234
1010 pt -14.88181 15.81367 15.93113 Infinity 0.630015 Infinity
23235
1011 pt -15.33968 18.86099 16.10697 Infinity 0.584943 Infinity
23236
1012 pt -7.99361 20.83359 10.28607 -Infinity 0.727873 -Infinity
23237
1013 pt -9.74677 20.75076 9.58561 Infinity 0.719788 Infinity
23238
1014 pt -6.77772 21.23818 8.89719 Infinity 0.753377 Infinity
23239
1015 pt -0.48096 9.94791 16.49139 -Infinity 0.855228 -Infinity
23240
1016 pt -1.63710 8.87621 15.44933 Infinity 0.918709 Infinity
23241
1017 pt -1.23476 11.66781 16.70306 Infinity 0.817755 Infinity
23242
1018 pt 3.68083 8.66136 10.59624 -Infinity 1.192618 -Infinity
23243
1019 pt 3.34574 7.55122 12.08834 Infinity 1.118732 Infinity
23244
1020 pt 4.73112 10.13822 11.13182 Infinity 1.079618 Infinity
23245
1021 pt -1.30126 18.55495 10.05209 -Infinity 0.856142 -Infinity
23246
1022 pt -1.82907 17.95012 8.34134 Infinity 0.927502 Infinity
23247
1023 pt -2.56971 17.99795 11.33733 Infinity 0.835353 Infinity
23248
1024 pt -2.85353 14.51687 16.98701 -Infinity 0.752534 -Infinity
23249
1025 pt -3.94522 15.24942 15.62957 Infinity 0.773636 Infinity
23250
1026 pt -3.85801 14.34022 18.57788 Infinity 0.705815 Infinity
23251
1027 pt -3.24108 20.38190 17.67302 -Infinity 0.631644 -Infinity
23252
1028 pt -3.66434 19.21286 16.24991 Infinity 0.679170 Infinity
23253
1029 pt -4.67241 21.58456 17.94861 Infinity 0.603151 Infinity
23254
1030 pt -5.50455 17.17536 13.19698 -Infinity 0.786227 -Infinity
23255
1031 pt -6.44580 15.59299 12.77128 Infinity 0.829614 Infinity
23256
1032 pt -6.37053 18.65687 12.40560 Infinity 0.759351 Infinity
23257
1033 pt -0.02928 6.98847 7.01504 -Infinity 1.807144 -Infinity
23258
1034 pt 1.14921 7.71713 8.30007 Infinity 1.535434 Infinity
23259
1035 pt -1.77510 6.90804 7.73388 Infinity 1.672727 Infinity
23260
1036 pt 6.77380 11.90336 13.32150 -Infinity 0.881402 -Infinity
23261
1037 pt 5.80190 11.93368 14.94186 Infinity 0.835910 Infinity
23262
1038 pt 7.65536 13.55782 13.08347 Infinity 0.835886 Infinity
23263
1039 pt 5.41846 14.45460 19.72892 -Infinity 0.660650 -Infinity
23264
1040 pt 4.29086 15.23998 18.43171 Infinity 0.688626 Infinity
23265
1041 pt 7.21709 14.89358 19.35037 Infinity 0.650467 Infinity
23266
1042 pt 2.49852 10.30867 20.89691 -Infinity 0.689904 -Infinity
23267
1043 pt 3.64089 11.79064 20.63267 Infinity 0.678249 Infinity
23268
1044 pt 1.29433 10.17381 19.44681 Infinity 0.739065 Infinity
23269
1045 pt 2.09369 16.12590 16.25672 -Infinity 0.741988 -Infinity
23270
1046 pt 2.10746 16.98509 14.57366 Infinity 0.769996 Infinity
23271
1047 pt 0.33336 15.57734 16.67071 Infinity 0.745891 Infinity
23272
1048 pt 14.28636 10.91693 9.52725 -Infinity 0.816698 -Infinity
23273
1049 pt 13.02182 9.86389 10.45628 Infinity 0.849782 Infinity
23274
1050 pt 16.02890 10.46094 10.09882 Infinity 0.758939 Infinity
23275
1051 pt 14.29891 13.47440 16.69264 -Infinity 0.636280 -Infinity
23276
1052 pt 15.92986 13.60122 17.63867 Infinity 0.596146 Infinity
23277
1053 pt 14.47162 14.33509 15.01918 Infinity 0.654113 Infinity
23278
1054 pt 17.03841 19.26049 9.68537 -Infinity 0.619129 -Infinity
23279
1055 pt 18.47328 20.07906 10.60307 Infinity 0.577644 Infinity
23280
1056 pt 15.79862 20.58103 9.14669 Infinity 0.623873 Infinity
23281
1057 pt 9.26629 16.36015 13.02090 -Infinity 0.748477 -Infinity
23282
1058 pt 11.08690 16.06849 12.60693 Infinity 0.732780 Infinity
23283
1059 pt 8.92721 18.21747 13.10127 Infinity 0.712954 Infinity
23284
1060 pt 10.65499 21.04993 19.19407 -Infinity 0.551986 -Infinity
23285
1061 pt 10.86225 21.99374 17.57009 Infinity 0.560325 Infinity
23286
1062 pt 8.92985 21.37171 19.89510 Infinity 0.550394 Infinity
23287
1063 pt 15.69518 8.39282 16.71266 -Infinity 0.652110 -Infinity
23288
1064 pt 17.58457 8.39925 16.74759 Infinity 0.619033 Infinity
23289
1065 pt 15.05865 10.17183 16.68114 Infinity 0.652771 Infinity
23290
1066 pt 19.27247 9.98675 10.68185 -Infinity 0.670488 -Infinity
23291
1067 pt 19.84431 11.65570 11.35909 Infinity 0.636007 Infinity
23292
1068 pt 20.29168 8.60373 11.46893 Infinity 0.645491 Infinity
23293
1069 pt 14.24263 15.54847 11.91660 -Infinity 0.696038 -Infinity
23294
1070 pt 14.42126 13.96232 10.90503 Infinity 0.735743 Infinity
23295
1071 pt 15.37543 16.88245 11.20363 Infinity 0.665161 Infinity
23296
1072 pt 18.29873 13.25484 20.01469 -Infinity 0.535793 -Infinity
23297
1073 pt 18.56628 15.10160 20.31301 Infinity 0.518133 Infinity
23298
1074 pt 19.95321 12.34987 20.13635 Infinity 0.520417 Infinity
23299
1075 pt 20.88556 8.61600 16.89174 -Infinity 0.563701 -Infinity
23300
1076 pt 21.94347 7.99194 15.45562 Infinity 0.566918 Infinity
23301
1077 pt 21.96533 9.60165 18.08909 Infinity 0.530870 Infinity
23302
1078 pt 10.59268 15.77109 19.59744 -Infinity 0.605143 -Infinity
23303
1079 pt 10.73957 17.64397 19.39293 Infinity 0.586990 Infinity
23304
1080 pt 11.68368 14.90916 18.31766 Infinity 0.626220 Infinity
23305
1081 pt 10.49792 8.34354 11.76117 -Infinity 0.911481 -Infinity
23306
1082 pt 11.20181 7.01537 12.90641 Infinity 0.862385 Infinity
23307
1083 pt 9.29403 9.43498 12.72579 Infinity 0.893664 Infinity
23313
1 a.u. = 0.171524 10**(-8) dyn/esu
23315
Atom X Y Z Electric field (a.u.)
23317
------------------------------------------------------------------------------------------------
23318
------------------------------------------------------------------------
23320
------------------------------------------------------------------------
23321
quantum energy -114.253107366 (-.299972E+06 kjoule/mol)
23322
quantum energy adjusted -114.253107366 (-.299972E+06 kjoule/mol)
23323
quantum energy internal -114.355751498 (-.300241E+06 kjoule/mol)
23324
Bq-nuclear energy 0.102644132 (0.269492E+03 kjoule/mol)
23325
Bq-electron energy 0.000000000 (0.000000E+00 kjoule/mol)
23326
classical energy -7.460698972 (-.195881E+05 kjoule/mol)
23327
total qmmm energy -121.713806338 (-.319560E+06 kjoule/mol)
23328
------------------------------------------------------------------------
23330
reducing step 5.0000000000000001E-3 2.86259178872465855E-4 1.00000000000000008E-5
23331
Total number of active Bq charges 1083
23332
frozen_density,esp T T
23333
disabling frozen_density,esp due to active qm atoms
23339
ao basis = "ao basis"
23346
input vectors = /home/d3p975/codes/nwchem-svn/nwchem/QA/tests/tce_qmmm_ccsd_opt/perm/fmd.movecs
23347
output vectors = /home/d3p975/codes/nwchem-svn/nwchem/QA/tests/tce_qmmm_ccsd_opt/perm/fmd.movecs
23352
Summary of "ao basis" -> "ao basis" (cartesian)
23353
------------------------------------------------------------------------------
23354
Tag Description Shells Functions and Types
23355
---------------- ------------------------------ ------ ---------------------
23356
O cc-pVDZ 6 15 3s2p1d
23357
C cc-pVDZ 6 15 3s2p1d
23362
Forming initial guess at 861.5s
23365
Loading old vectors from job with title :
23369
Nuclear repulsion energy = 31.077064472779181
23370
Bq nuclear interaction energy = 0.10294756124502394
23372
Starting SCF solution at 861.5s
23376
----------------------------------------------
23377
Quadratically convergent ROHF
23379
Convergence threshold : 1.000E-10
23380
Maximum no. of iterations : 200
23381
Final Fock-matrix accuracy: 0.000E+00
23382
----------------------------------------------
23385
#quartets = 1.471E+04 #integrals = 3.753E+05 #direct = 0.0% #cached =100.0%
23388
Integral file = /scratch/fmd.aoints.00
23389
Record size in doubles = 65536 No. of integs per rec = 43688
23390
Max. records in memory = 2 Max. records in file = 225827
23391
No. of bits per label = 8 No. of bits per value = 64
23394
File balance: exchanges= 0 moved= 0 time= 0.0
23396
Nuclear repulsion energy = 31.077064472779181
23397
Bq nuclear interaction energy = 0.10294756124502394
23399
iter energy gnorm gmax time
23400
----- ------------------- --------- --------- --------
23401
1 -113.9148729112 4.58E-03 1.26E-03 767.8
23402
Nuclear repulsion energy = 31.077064472779181
23403
Bq nuclear interaction energy = 0.10294756124502394
23404
2 -113.9148745138 1.95E-05 1.07E-05 768.0
23405
Nuclear repulsion energy = 31.077064472779181
23406
Bq nuclear interaction energy = 0.10294756124502394
23407
3 -113.9148745139 3.99E-10 1.58E-10 768.3
23408
Nuclear repulsion energy = 31.077064472779181
23409
Bq nuclear interaction energy = 0.10294756124502394
23410
4 -113.9148745139 3.55E-12 1.84E-12 768.5
23411
Nuclear repulsion energy = 31.077064472779181
23412
Bq nuclear interaction energy = 0.10294756124502394
23418
Total SCF energy = -113.914874513929
23419
One-electron energy = -217.275141334626
23420
Two-electron energy = 72.180254786672
23421
Nuclear repulsion energy = 31.180012034024
23423
Time for solution = 0.8s
23449
ROHF Final Molecular Orbital Analysis
23450
-------------------------------------
23452
Vector 2 Occ=2.000000E+00 E=-1.134243E+01
23453
MO Center= 2.3E-01, 2.2E+00, -5.9E-01, r^2= 2.7E-02
23454
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
23455
----- ------------ --------------- ----- ------------ ---------------
23458
Vector 3 Occ=2.000000E+00 E=-1.396738E+00
23459
MO Center= -5.8E-01, 1.8E+00, -5.6E-01, r^2= 5.0E-01
23460
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
23461
----- ------------ --------------- ----- ------------ ---------------
23462
2 0.409139 1 O s 3 0.387959 1 O s
23463
17 0.207660 2 C s 19 -0.164202 2 C px
23465
Vector 4 Occ=2.000000E+00 E=-8.541045E-01
23466
MO Center= 1.8E-01, 2.1E+00, -5.8E-01, r^2= 1.4E+00
23467
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
23468
----- ------------ --------------- ----- ------------ ---------------
23469
17 0.355066 2 C s 3 -0.260931 1 O s
23470
18 0.234298 2 C s 31 0.228402 3 H s
23471
36 0.225475 4 H s 2 -0.192208 1 O s
23474
Vector 5 Occ=2.000000E+00 E=-6.773013E-01
23475
MO Center= -2.2E-02, 2.0E+00, -5.8E-01, r^2= 1.3E+00
23476
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
23477
----- ------------ --------------- ----- ------------ ---------------
23478
21 0.368597 2 C pz 6 0.334421 1 O pz
23479
36 -0.235552 4 H s 31 0.232920 3 H s
23482
Vector 6 Occ=2.000000E+00 E=-6.507689E-01
23483
MO Center= -5.0E-01, 1.8E+00, -5.6E-01, r^2= 1.3E+00
23484
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
23485
----- ------------ --------------- ----- ------------ ---------------
23486
4 0.437103 1 O px 19 -0.350725 2 C px
23487
7 0.289923 1 O px 3 -0.255118 1 O s
23488
5 0.203486 1 O py 20 -0.171109 2 C py
23490
Vector 7 Occ=2.000000E+00 E=-5.272436E-01
23491
MO Center= -5.5E-01, 1.8E+00, -5.6E-01, r^2= 9.2E-01
23492
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
23493
----- ------------ --------------- ----- ------------ ---------------
23494
5 0.431443 1 O py 8 0.312836 1 O py
23495
20 0.262936 2 C py 4 -0.192771 1 O px
23496
6 0.182767 1 O pz 23 0.150372 2 C py
23498
Vector 8 Occ=2.000000E+00 E=-4.361495E-01
23499
MO Center= -2.6E-01, 1.9E+00, -5.7E-01, r^2= 1.6E+00
23500
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
23501
----- ------------ --------------- ----- ------------ ---------------
23502
6 0.485863 1 O pz 9 0.408062 1 O pz
23503
31 -0.255839 3 H s 36 0.255232 4 H s
23504
21 -0.216594 2 C pz 5 -0.164275 1 O py
23506
Vector 9 Occ=0.000000E+00 E= 1.472533E-01
23507
MO Center= 4.2E-02, 2.1E+00, -5.8E-01, r^2= 1.7E+00
23508
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
23509
----- ------------ --------------- ----- ------------ ---------------
23510
23 0.584860 2 C py 8 -0.417864 1 O py
23511
20 0.370169 2 C py 5 -0.300402 1 O py
23512
22 -0.276435 2 C px 24 0.250847 2 C pz
23513
7 0.196152 1 O px 9 -0.176294 1 O pz
23514
19 -0.173718 2 C px 21 0.157207 2 C pz
23516
Vector 10 Occ=0.000000E+00 E= 2.234953E-01
23517
MO Center= 9.4E-01, 2.4E+00, -4.5E-01, r^2= 4.0E+00
23518
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
23519
----- ------------ --------------- ----- ------------ ---------------
23520
18 1.914003 2 C s 32 -1.501949 3 H s
23521
37 -1.238631 4 H s 22 0.606109 2 C px
23522
23 0.258487 2 C py 19 0.166025 2 C px
23524
Vector 11 Occ=0.000000E+00 E= 2.912804E-01
23525
MO Center= 9.8E-01, 2.6E+00, -7.9E-01, r^2= 4.1E+00
23526
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
23527
----- ------------ --------------- ----- ------------ ---------------
23528
37 1.931157 4 H s 32 -1.749955 3 H s
23529
24 1.293360 2 C pz 23 -0.449415 2 C py
23530
21 0.340658 2 C pz 9 -0.273656 1 O pz
23533
Vector 12 Occ=0.000000E+00 E= 3.720185E-01
23534
MO Center= 1.1E-01, 2.1E+00, -5.9E-01, r^2= 3.0E+00
23535
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
23536
----- ------------ --------------- ----- ------------ ---------------
23537
3 1.816495 1 O s 22 1.557117 2 C px
23538
18 -1.387120 2 C s 23 0.740295 2 C py
23539
7 0.621622 1 O px 8 0.297437 1 O py
23541
Vector 13 Occ=0.000000E+00 E= 6.837025E-01
23542
MO Center= 6.7E-01, 2.5E+00, -5.6E-01, r^2= 1.7E+00
23543
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
23544
----- ------------ --------------- ----- ------------ ---------------
23545
18 1.050977 2 C s 31 -0.764335 3 H s
23546
36 -0.747867 4 H s 30 -0.297090 2 C dzz
23547
22 0.289293 2 C px 29 0.282681 2 C dyz
23548
23 0.279897 2 C py 17 -0.215085 2 C s
23549
32 0.196430 3 H s 16 -0.196330 2 C s
23551
Vector 14 Occ=0.000000E+00 E= 6.959508E-01
23552
MO Center= 3.1E-01, 2.1E+00, -6.3E-01, r^2= 1.9E+00
23553
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
23554
----- ------------ --------------- ----- ------------ ---------------
23555
23 0.892094 2 C py 20 -0.865634 2 C py
23556
22 -0.458741 2 C px 19 0.400928 2 C px
23557
21 -0.361157 2 C pz 24 0.357895 2 C pz
23559
Vector 15 Occ=0.000000E+00 E= 7.564862E-01
23560
MO Center= 5.1E-02, 2.1E+00, -5.9E-01, r^2= 2.3E+00
23561
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
23562
----- ------------ --------------- ----- ------------ ---------------
23563
24 1.936550 2 C pz 36 0.703264 4 H s
23564
31 -0.691143 3 H s 32 -0.628902 3 H s
23565
37 0.626253 4 H s 23 -0.622169 2 C py
23566
22 0.377734 2 C px 9 -0.325565 1 O pz
23567
6 -0.297136 1 O pz 21 -0.280294 2 C pz
23569
Vector 16 Occ=0.000000E+00 E= 8.355160E-01
23570
MO Center= 5.5E-01, 2.3E+00, -5.8E-01, r^2= 2.5E+00
23571
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
23572
----- ------------ --------------- ----- ------------ ---------------
23573
24 1.499628 2 C pz 32 -1.498206 3 H s
23574
37 1.450172 4 H s 21 -0.762744 2 C pz
23575
27 0.524815 2 C dxz 23 -0.479333 2 C py
23576
36 -0.366722 4 H s 31 0.354074 3 H s
23577
22 0.323875 2 C px 29 0.266073 2 C dyz
23579
Vector 17 Occ=0.000000E+00 E= 8.952075E-01
23580
MO Center= -1.9E-02, 2.0E+00, -5.8E-01, r^2= 1.5E+00
23581
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
23582
----- ------------ --------------- ----- ------------ ---------------
23583
22 0.954959 2 C px 18 0.942418 2 C s
23584
19 -0.905237 2 C px 37 -0.539206 4 H s
23585
23 0.478603 2 C py 32 -0.478303 3 H s
23586
20 -0.445457 2 C py 7 -0.424771 1 O px
23587
26 -0.307948 2 C dxy 4 -0.264811 1 O px
23589
Vector 18 Occ=0.000000E+00 E= 9.600052E-01
23590
MO Center= 5.7E-01, 2.3E+00, -6.3E-01, r^2= 2.7E+00
23591
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
23592
----- ------------ --------------- ----- ------------ ---------------
23593
18 4.066695 2 C s 17 -1.677580 2 C s
23594
37 -1.311784 4 H s 32 -1.253608 3 H s
23595
16 -0.786620 2 C s 22 0.472015 2 C px
23596
3 -0.459873 1 O s 28 -0.288775 2 C dyy
23597
30 -0.242494 2 C dzz 23 0.234047 2 C py
23602
x = -0.59741358 y = 3.58537082 z = -1.07126279
23604
moments of inertia (a.u.)
23606
15.129192473361 -18.056187519034 0.486078944581
23607
-18.056187519034 44.044580137199 2.591021646566
23608
0.486078944581 2.591021646566 47.876034486698
23610
Mulliken analysis of the total density
23611
--------------------------------------
23613
Atom Charge Shell Charges
23614
----------- ------ -------------------------------------------------------
23615
1 O 8 8.47 2.00 0.83 0.92 2.79 1.89 0.02
23616
2 C 6 5.69 2.00 0.70 0.44 1.83 0.59 0.12
23617
3 H 1 0.93 0.75 0.15 0.03
23618
4 H 1 0.92 0.75 0.14 0.03
23620
Multipole analysis of the density wrt the origin
23621
------------------------------------------------
23623
L x y z total open nuclear
23624
- - - - ----- ---- -------
23625
0 0 0 0 0.000000 0.000000 16.000000
23627
1 1 0 0 1.397000 0.000000 -7.554379
23628
1 0 1 0 0.651354 0.000000 58.336141
23629
1 0 0 1 -0.074717 0.000000 -17.223183
23631
2 2 0 0 -10.031287 0.000000 26.684936
23632
2 1 1 0 4.659510 0.000000 -16.849121
23633
2 1 0 1 -1.464135 0.000000 8.279255
23634
2 0 2 0 -3.690873 0.000000 218.619088
23635
2 0 1 1 -1.060967 0.000000 -65.063216
23636
2 0 0 2 -8.051774 0.000000 24.118418
23638
Nuclear repulsion energy = 31.077064472779181
23639
Bq nuclear interaction energy = 0.10294756124502394
23641
Parallel integral file used 27 records with 0 large values
23643
NWChem Extensible Many-Electron Theory Module
23644
---------------------------------------------
23646
======================================================
23647
This portion of the program was automatically
23648
generated by a Tensor Contraction Engine (TCE).
23649
The development of this portion of the program
23650
and TCE was supported by US Department of Energy,
23651
Office of Science, Office of Basic Energy Science.
23652
TCE is a product of Battelle and PNNL.
23653
Please cite: S.Hirata, J.Phys.Chem.A 107, 9887 (2003).
23654
======================================================
23656
General Information
23657
-------------------
23658
Number of processors : 27
23659
Wavefunction type : Restricted Hartree-Fock
23660
No. of electrons : 16
23661
Alpha electrons : 8
23663
No. of orbitals : 80
23664
Alpha orbitals : 40
23666
Alpha frozen cores : 0
23667
Beta frozen cores : 0
23668
Alpha frozen virtuals : 0
23669
Beta frozen virtuals : 0
23670
Spin multiplicity : singlet
23671
Number of AO functions : 40
23672
Number of AO shells : 18
23673
Use of symmetry is : off
23674
Symmetry adaption is : off
23675
Schwarz screening : 0.00E+00
23677
Correlation Information
23678
-----------------------
23679
Calculation type : Coupled-cluster singles & doubles
23680
Perturbative correction : none
23681
Max iterations : 200
23682
Residual threshold : 0.10E-05
23683
T(0) DIIS level shift : 0.00E+00
23684
L(0) DIIS level shift : 0.00E+00
23685
T(1) DIIS level shift : 0.00E+00
23686
L(1) DIIS level shift : 0.00E+00
23687
T(R) DIIS level shift : 0.00E+00
23688
T(I) DIIS level shift : 0.00E+00
23689
CC-T/L Amplitude update : 5-th order DIIS
23690
I/O scheme : Global Array Library
23694
Available GA space size is 2654059007 doubles
23695
Available MA space size is 49130121 doubles
23697
Maximum block size supplied by input
23698
Maximum block size 12 doubles
23702
Block Spin Irrep Size Offset Alpha
23703
-------------------------------------------------
23704
1 alpha a 8 doubles 0 1
23705
2 beta a 8 doubles 8 1
23706
3 alpha a 10 doubles 16 3
23707
4 alpha a 11 doubles 26 4
23708
5 alpha a 11 doubles 37 5
23709
6 beta a 10 doubles 48 3
23710
7 beta a 11 doubles 58 4
23711
8 beta a 11 doubles 69 5
23713
Global array virtual files algorithm will be used
23715
Parallel file system coherency ......... OK
23717
#quartets = 1.471E+04 #integrals = 3.753E+05 #direct = 0.0% #cached =100.0%
23720
Integral file = /scratch/fmd.aoints.00
23721
Record size in doubles = 65536 No. of integs per rec = 43688
23722
Max. records in memory = 2 Max. records in file = 225827
23723
No. of bits per label = 8 No. of bits per value = 64
23726
File balance: exchanges= 0 moved= 0 time= 0.0
23729
Fock matrix recomputed
23730
1-e file size = 1600
23731
1-e file name = /scratch/fmd.f1
23732
1-e file handle = -993
23733
Cpu & wall time / sec 0.1 0.1
23735
2-e (intermediate) file size = 5769600
23736
2-e (intermediate) file name = /scratch/fmd.v2i
23737
Cpu & wall time / sec 0.1 0.1
23739
2-e file size = 3566009
23740
2-e file name = /scratch/fmd.v2
23741
2-e file handle = -991
23742
Cpu & wall time / sec 0.1 0.1
23745
t1 file name = /scratch/fmd.t1
23746
t1 file handle = -992
23747
Cpu & wall time / sec 0.0
23748
before tce_guess_t2
23751
t2 file size = 109248
23752
t2 file name = /scratch/fmd.t2
23753
t2 file handle = -989
23754
Cpu & wall time / sec 0.0
23757
-----------------------------------------------------------------
23758
Iter Residuum Correlation Cpu Wall V2*C2
23759
-----------------------------------------------------------------
23760
1 0.1516360691769 -0.3226273787158 0.2 0.2 0.0
23761
2 0.0551879128614 -0.3255431703093 0.2 0.2 0.0
23762
3 0.0173412713339 -0.3359778731257 0.2 0.2 0.0
23763
4 0.0105086500795 -0.3365189663216 0.2 0.2 0.0
23764
5 0.0044598108209 -0.3377469695314 0.2 0.2 0.0
23765
MICROCYCLE DIIS UPDATE: 5 5
23766
6 0.0016698029403 -0.3381720520746 0.2 0.2 0.0
23767
7 0.0007027700407 -0.3382813665106 0.2 0.2 0.0
23768
8 0.0003943349006 -0.3382850558499 0.2 0.2 0.0
23769
9 0.0002198302515 -0.3382893988657 0.2 0.2 0.0
23770
10 0.0001315967057 -0.3382944868337 0.2 0.2 0.0
23771
MICROCYCLE DIIS UPDATE: 10 5
23772
11 0.0000237771823 -0.3383010349185 0.2 0.2 0.0
23773
12 0.0000133127636 -0.3383015872604 0.2 0.2 0.0
23774
13 0.0000091061054 -0.3383025893522 0.2 0.2 0.0
23775
14 0.0000069036614 -0.3383026419535 0.2 0.2 0.0
23776
15 0.0000053066537 -0.3383027618066 0.2 0.2 0.0
23777
MICROCYCLE DIIS UPDATE: 15 5
23778
16 0.0000011535011 -0.3383027526735 0.2 0.2 0.0
23779
17 0.0000005912263 -0.3383028424153 0.2 0.2 0.0
23780
-----------------------------------------------------------------
23781
Iterations converged
23782
CCSD correlation energy / hartree = -0.338302842415251
23783
CCSD total energy / hartree = -114.253177356344523
23785
Singles contributions
23787
Doubles contributions
23788
9a (alpha) 9a (beta ) --- 7a (alpha) 7a (beta ) -0.1171203214
23790
CCSD Lambda iterations
23791
--------------------------------------
23792
Iter Residuum Cpu Wall
23793
--------------------------------------
23794
1 1.6757705070566 0.5 0.6
23795
2 0.0292674932484 0.5 0.6
23796
3 0.0031682435243 0.5 0.6
23797
4 0.0003657714973 0.5 0.6
23798
5 0.0001060847389 0.5 0.6
23799
MICROCYCLE DIIS UPDATE: 5 5
23800
6 0.0000237904096 0.4 0.6
23801
7 0.0000045833863 0.5 0.6
23802
8 0.0000014709553 0.5 0.6
23803
9 0.0000004762303 0.5 0.6
23804
--------------------------------------
23805
Iterations converged
23807
MO Z-VEC iterations
23808
--------------------------------------
23809
Iter Residuum Cpu Wall
23810
--------------------------------------
23811
1 0.0234647737073 0.0 0.0
23812
2 0.0076410336370 0.0 0.0
23813
3 0.0030500048343 0.0 0.0
23814
4 0.0027542253514 0.0 0.0
23815
5 0.0017140481595 0.0 0.0
23816
MICROCYCLE DIIS UPDATE: 5 5
23817
6 0.0003179336364 0.0 0.0
23818
7 0.0001715244340 0.0 0.0
23819
8 0.0000806877692 0.0 0.0
23820
9 0.0000685695203 0.0 0.0
23821
10 0.0000362766641 0.0 0.0
23822
MICROCYCLE DIIS UPDATE: 10 5
23823
11 0.0000046003856 0.0 0.0
23824
12 0.0000022884179 0.0 0.0
23825
13 0.0000011480330 0.0 0.0
23826
14 0.0000009644385 0.0 0.0
23827
--------------------------------------
23828
Iterations converged
23830
NWChem Gradients Module
23831
-----------------------
23835
wavefunction = TCE RHF CCSD
23839
ccsd ENERGY GRADIENTS
23841
atom coordinates gradient
23843
1 O -1.629673 3.087485 -1.027943 0.015189 0.002930 0.002445
23844
2 C 0.438741 4.084541 -1.114937 -0.001942 -0.000990 0.000520
23845
3 H 1.757287 4.022166 0.509098 -0.000543 0.000061 -0.000363
23846
4 H 1.093272 5.106850 -2.819111 -0.001029 0.000327 0.000446
23848
----------------------------------------
23849
| Time | 1-e(secs) | 2-e(secs) |
23850
----------------------------------------
23851
| CPU | 0.12 | 0.14 |
23852
----------------------------------------
23853
| WALL | 0.15 | 0.14 |
23854
----------------------------------------
23856
Parallel integral file used 27 records with 0 large values
23858
Bq nuclear interaction energy = 0.10294756124502394
23859
Calculating forces on classical charges
23860
---------------------------------------
23861
Total number of charges 1083
23862
NWChem Property Module
23863
----------------------
23867
---------------------------------------------
23868
Electrostatic potential/diamagnetic shielding
23869
---------------------------------------------
23871
1 a.u. = 9.07618 esu/cm ( or statvolts )
23872
Point X Y Z Total Potential(a.u.) Diamagnetic shielding(a.u.) External Bq potential
23873
1 pt -10.84723 -20.95211 -11.78153 -Infinity 0.557441 -Infinity
23874
2 pt -9.86952 -19.74683 -10.70337 Infinity 0.594224 Infinity
23875
3 pt -12.23974 -21.72301 -10.76286 Infinity 0.541860 Infinity
23876
4 pt -13.12438 -10.66225 -18.89849 -Infinity 0.613868 -Infinity
23877
5 pt -13.17488 -12.55126 -18.91053 Infinity 0.588749 Infinity
23878
6 pt -11.56410 -10.06714 -19.78303 Infinity 0.623494 Infinity
23879
7 pt -16.79700 -8.14741 -16.53410 -Infinity 0.632330 -Infinity
23880
8 pt -17.27887 -9.23447 -15.06537 Infinity 0.632760 Infinity
23881
9 pt -15.30722 -8.90383 -17.41697 Infinity 0.632059 Infinity
23882
10 pt -17.30900 -10.90330 -12.00968 -Infinity 0.648085 -Infinity
23883
11 pt -18.50875 -9.94795 -10.90562 Infinity 0.652593 Infinity
23884
12 pt -16.21983 -12.01830 -10.94125 Infinity 0.661178 Infinity
23885
13 pt -12.84228 -7.70718 -11.71755 -Infinity 0.808847 -Infinity
23886
14 pt -11.59319 -8.74074 -10.74668 Infinity 0.835215 Infinity
23887
15 pt -14.34453 -8.77086 -12.14525 Infinity 0.742093 Infinity
23888
16 pt -16.85209 -17.68013 -11.06737 -Infinity 0.559550 -Infinity
23889
17 pt -15.76935 -16.30362 -10.35747 Infinity 0.599168 Infinity
23890
18 pt -18.60012 -17.53385 -10.36446 Infinity 0.546341 Infinity
23891
19 pt -7.79408 -18.14793 -8.64784 -Infinity 0.662492 -Infinity
23892
20 pt -7.25180 -19.87415 -8.10272 Infinity 0.629507 Infinity
23893
21 pt -7.82011 -16.99311 -7.15225 Infinity 0.705629 Infinity
23894
22 pt -14.30797 -19.61048 -15.39046 -Infinity 0.523818 -Infinity
23895
23 pt -12.76613 -20.03960 -14.38565 Infinity 0.537696 Infinity
23896
24 pt -15.61433 -18.85791 -14.25110 Infinity 0.531965 Infinity
23897
25 pt -9.64835 -10.74058 -8.91992 -Infinity 0.855907 -Infinity
23898
26 pt -9.72124 -10.58863 -7.03773 Infinity 0.894189 Infinity
23899
27 pt -7.84573 -10.70881 -9.48615 Infinity 0.882535 Infinity
23900
28 pt -14.24337 -13.62736 -8.86929 -Infinity 0.686006 -Infinity
23901
29 pt -14.63668 -13.92474 -7.04503 Infinity 0.688584 Infinity
23902
30 pt -12.50959 -12.89287 -9.02934 Infinity 0.732225 Infinity
23903
31 pt 4.17228 -20.91809 -8.89506 -Infinity 0.610425 -Infinity
23904
32 pt 5.42290 -22.28336 -8.51687 Infinity 0.579035 Infinity
23905
33 pt 3.29170 -21.30218 -10.52236 Infinity 0.593602 Infinity
23906
34 pt 4.77658 -17.49369 -15.08387 -Infinity 0.617177 -Infinity
23907
35 pt 6.09918 -17.11452 -13.78849 Infinity 0.633688 Infinity
23908
36 pt 4.17894 -19.27398 -14.87300 Infinity 0.588783 Infinity
23909
37 pt -4.46369 -10.02340 -10.08077 -Infinity 0.951322 -Infinity
23910
38 pt -3.35379 -11.34455 -10.85134 Infinity 0.883435 Infinity
23911
39 pt -3.47824 -9.03699 -8.80526 Infinity 1.057359 Infinity
23912
40 pt -1.01904 -20.36332 -12.13307 -Infinity 0.605322 -Infinity
23913
41 pt -1.27334 -21.50241 -13.61929 Infinity 0.569267 Infinity
23914
42 pt -1.11253 -21.37481 -10.53958 Infinity 0.598152 Infinity
23915
43 pt -0.08706 -17.77600 -20.87782 -Infinity 0.548324 -Infinity
23916
44 pt -0.21100 -18.93201 -19.38807 Infinity 0.550309 Infinity
23917
45 pt 0.74838 -18.68107 -22.31098 Infinity 0.518737 Infinity
23918
46 pt 4.93318 -8.49331 -13.92385 -Infinity 0.863027 -Infinity
23919
47 pt 3.82297 -9.85489 -14.61997 Infinity 0.814447 Infinity
23920
48 pt 4.25574 -6.80451 -14.43383 Infinity 0.905829 Infinity
23921
49 pt 7.03830 -16.37439 -19.51717 -Infinity 0.565966 -Infinity
23922
50 pt 6.72086 -17.79086 -20.72711 Infinity 0.533572 Infinity
23923
51 pt 6.03640 -16.65552 -17.93976 Infinity 0.587924 Infinity
23924
52 pt -4.71585 -16.93544 -12.62987 -Infinity 0.667923 -Infinity
23925
53 pt -3.37884 -18.26962 -12.57118 Infinity 0.642587 Infinity
23926
54 pt -5.96761 -17.23532 -11.24631 Infinity 0.671419 Infinity
23927
55 pt -4.53574 -11.35453 -20.77142 -Infinity 0.637957 -Infinity
23928
56 pt -4.98152 -12.25799 -19.17264 Infinity 0.653159 Infinity
23929
57 pt -3.82523 -12.58686 -22.01546 Infinity 0.599233 Infinity
23930
58 pt -0.95777 -13.55459 -11.75492 -Infinity 0.789879 -Infinity
23931
59 pt 0.47152 -14.29955 -10.76838 Infinity 0.783130 Infinity
23932
60 pt -2.27346 -14.87721 -12.05608 Infinity 0.740729 Infinity
23933
61 pt 2.07903 -12.46044 -15.73863 -Infinity 0.728693 -Infinity
23934
62 pt 2.94454 -14.11618 -16.02229 Infinity 0.681105 Infinity
23935
63 pt 0.77925 -12.65246 -14.38040 Infinity 0.758429 Infinity
23936
64 pt -6.00168 -13.76510 -16.51301 -Infinity 0.669717 -Infinity
23937
65 pt -7.05975 -12.50435 -15.58453 Infinity 0.706331 Infinity
23938
66 pt -5.38351 -15.08104 -15.30585 Infinity 0.666609 Infinity
23939
67 pt 7.22250 -11.46524 -21.36667 -Infinity 0.604133 -Infinity
23940
68 pt 7.28991 -13.27509 -20.82725 Infinity 0.588658 Infinity
23941
69 pt 5.42109 -10.94092 -21.59272 Infinity 0.617983 Infinity
23942
70 pt 3.25644 -15.52296 -9.20437 -Infinity 0.755412 -Infinity
23943
71 pt 3.17872 -17.38273 -8.87838 Infinity 0.703401 Infinity
23944
72 pt 4.99109 -15.05733 -9.79192 Infinity 0.748218 Infinity
23945
73 pt 0.15316 -9.36005 -19.53032 -Infinity 0.707769 -Infinity
23946
74 pt -1.61584 -9.88586 -19.93682 Infinity 0.688145 Infinity
23947
75 pt 0.85440 -10.48976 -18.18753 Infinity 0.718846 Infinity
23948
76 pt -0.87106 -7.57184 -7.14321 -Infinity 1.252126 -Infinity
23949
77 pt 0.40403 -6.36171 -7.83661 Infinity 1.316182 Infinity
23950
78 pt 0.00400 -9.13612 -6.54457 Infinity 1.148162 Infinity
23951
79 pt 8.90600 -16.16124 -12.07938 -Infinity 0.651230 -Infinity
23952
80 pt 10.06344 -16.80112 -13.42918 Infinity 0.611736 Infinity
23953
81 pt 9.41685 -16.89019 -10.41243 Infinity 0.648353 Infinity
23954
82 pt 15.56920 -12.16175 -16.15762 -Infinity 0.589081 -Infinity
23955
83 pt 13.87584 -11.50918 -15.63060 Infinity 0.627423 Infinity
23956
84 pt 15.38852 -13.18071 -17.73881 Infinity 0.560319 Infinity
23957
85 pt 10.46892 -9.04914 -18.18013 -Infinity 0.666638 -Infinity
23958
86 pt 10.20627 -9.86865 -16.49773 Infinity 0.690371 Infinity
23959
87 pt 9.37490 -9.89183 -19.47011 Infinity 0.642019 Infinity
23960
88 pt 11.63257 -16.92694 -16.83798 -Infinity 0.558473 -Infinity
23961
89 pt 12.95385 -16.38647 -18.07620 Infinity 0.541419 Infinity
23962
90 pt 9.94405 -16.94844 -17.68622 Infinity 0.561878 Infinity
23963
91 pt 9.45740 -11.17969 -13.70337 -Infinity 0.729982 -Infinity
23964
92 pt 7.78461 -10.30609 -13.60497 Infinity 0.778670 Infinity
23965
93 pt 9.29338 -12.93519 -13.02339 Infinity 0.704674 Infinity
23966
94 pt 14.57355 -7.01192 -9.89833 -Infinity 0.780272 -Infinity
23967
95 pt 13.92521 -8.75876 -9.58323 Infinity 0.765974 Infinity
23968
96 pt 13.16653 -5.92159 -10.53278 Infinity 0.832292 Infinity
23969
97 pt 14.52064 -14.46186 -8.29745 -Infinity 0.649021 -Infinity
23970
98 pt 14.24139 -13.15407 -6.96224 Infinity 0.690928 Infinity
23971
99 pt 13.17906 -15.78692 -8.17316 Infinity 0.644061 Infinity
23972
100 pt 15.52354 -19.18549 -13.76143 -Infinity 0.521585 -Infinity
23973
101 pt 16.42372 -17.59038 -13.29627 Infinity 0.536664 Infinity
23974
102 pt 14.11821 -18.79000 -14.96130 Infinity 0.529853 Infinity
23975
103 pt 17.80977 -14.69125 -12.22442 -Infinity 0.566407 -Infinity
23976
104 pt 16.67756 -14.52174 -10.72095 Infinity 0.596159 Infinity
23977
105 pt 17.13727 -13.63877 -13.64256 Infinity 0.576626 Infinity
23978
106 pt -17.30082 3.37272 -20.58379 -Infinity 0.622203 -Infinity
23979
107 pt -16.62411 2.25013 -19.22257 Infinity 0.659024 Infinity
23980
108 pt -16.62162 2.81551 -22.25689 Infinity 0.601404 Infinity
23981
109 pt -7.95546 -4.07310 -19.46215 -Infinity 0.752015 -Infinity
23982
110 pt -6.18604 -3.60044 -18.99653 Infinity 0.794178 Infinity
23983
111 pt -9.00309 -4.21666 -17.89597 Infinity 0.784394 Infinity
23984
112 pt -10.24996 -4.43805 -14.87329 -Infinity 0.856373 -Infinity
23985
113 pt -11.59764 -5.53862 -14.13604 Infinity 0.825372 Infinity
23986
114 pt -8.61821 -4.74933 -13.97242 Infinity 0.921741 Infinity
23987
115 pt -12.87211 5.50573 -13.37251 -Infinity 0.913688 -Infinity
23988
116 pt -11.97011 3.85524 -13.55511 Infinity 0.945849 Infinity
23989
117 pt -14.43297 5.26043 -12.33589 Infinity 0.891771 Infinity
23990
118 pt -13.27300 -3.61431 -8.55502 -Infinity 0.977136 -Infinity
23991
119 pt -13.17248 -4.99409 -9.84234 Infinity 0.910776 Infinity
23992
120 pt -11.68926 -2.58478 -8.60862 Infinity 1.084798 Infinity
23993
121 pt -15.46691 0.10533 -17.21921 -Infinity 0.719117 -Infinity
23994
122 pt -14.68198 -0.01143 -15.50418 Infinity 0.780273 Infinity
23995
123 pt -16.81965 -1.20381 -17.38443 Infinity 0.680225 Infinity
23996
124 pt -8.46724 -1.50312 -9.49303 -Infinity 1.269283 -Infinity
23997
125 pt -7.00353 -0.32041 -9.32047 Infinity 1.432767 Infinity
23998
126 pt -7.86072 -3.16489 -10.15767 Infinity 1.188192 Infinity
23999
127 pt -10.80315 2.83242 -18.58695 -Infinity 0.787393 -Infinity
24000
128 pt -12.46315 1.98574 -18.90099 Infinity 0.743894 Infinity
24001
129 pt -10.22097 2.44783 -16.83075 Infinity 0.863248 Infinity
24002
130 pt -18.93767 -4.42328 -13.32446 -Infinity 0.681543 -Infinity
24003
131 pt -20.71117 -4.99148 -13.00366 Infinity 0.642054 Infinity
24004
132 pt -18.12736 -5.56875 -14.59031 Infinity 0.667508 Infinity
24005
133 pt -21.03738 2.75880 -16.81044 -Infinity 0.619366 -Infinity
24006
134 pt -20.11607 3.10195 -18.42429 Infinity 0.611937 Infinity
24007
135 pt -21.15679 0.89284 -16.53657 Infinity 0.618065 Infinity
24008
136 pt -19.60611 -0.61446 -9.83694 -Infinity 0.749390 -Infinity
24009
137 pt -21.45535 -0.39883 -10.16081 Infinity 0.692541 Infinity
24010
138 pt -18.91449 -1.94310 -10.98908 Infinity 0.742319 Infinity
24011
139 pt -19.79806 -2.65692 -19.03406 -Infinity 0.591565 -Infinity
24012
140 pt -18.76458 -3.87742 -20.04073 Infinity 0.585433 Infinity
24013
141 pt -21.29644 -3.54917 -18.30617 Infinity 0.573785 Infinity
24014
142 pt -17.01942 3.91003 -10.52095 -Infinity 0.843882 -Infinity
24015
143 pt -18.20273 5.00410 -11.50778 Infinity 0.779287 Infinity
24016
144 pt -17.85582 2.25872 -10.14055 Infinity 0.818565 Infinity
24017
145 pt -10.73115 0.64349 -13.77880 -Infinity 0.967217 -Infinity
24018
146 pt -10.66491 -1.09412 -14.51865 Infinity 0.916179 Infinity
24019
147 pt -10.09648 0.59625 -11.99946 Infinity 1.080786 Infinity
24020
148 pt -19.96422 6.69705 -13.78262 -Infinity 0.683843 -Infinity
24021
149 pt -21.04515 8.20046 -14.16003 Infinity 0.646759 Infinity
24022
150 pt -20.57729 5.21305 -14.77910 Infinity 0.658250 Infinity
24023
151 pt 4.27637 3.52693 -17.96850 -Infinity 0.909325 -Infinity
24024
152 pt 4.91570 3.51724 -19.74676 Infinity 0.821407 Infinity
24025
153 pt 3.52387 5.21576 -17.57775 Infinity 0.935868 Infinity
24026
154 pt -6.17637 -5.55576 -12.02478 -Infinity 1.041859 -Infinity
24027
155 pt -5.82557 -7.30901 -11.41314 Infinity 1.003455 Infinity
24028
156 pt -4.59377 -4.52713 -11.93327 Infinity 1.128139 Infinity
24029
157 pt -4.11776 1.33633 -9.68470 -Infinity 1.661376 -Infinity
24030
158 pt -3.55470 2.67905 -10.88933 Infinity 1.544927 Infinity
24031
159 pt -4.23003 2.05877 -7.94214 Infinity 2.006857 Infinity
24032
160 pt 3.59835 0.72639 -11.24348 -Infinity 1.402087 -Infinity
24033
161 pt 5.14811 1.53393 -11.96264 Infinity 1.280185 Infinity
24034
162 pt 2.27553 2.04487 -10.95566 Infinity 1.530637 Infinity
24035
163 pt -2.21720 4.79679 -13.03881 -Infinity 1.312978 -Infinity
24036
164 pt -3.42341 6.18762 -13.46507 Infinity 1.228774 Infinity
24037
165 pt -0.66163 5.52897 -12.25449 Infinity 1.404784 Infinity
24038
166 pt 3.82594 -3.32827 -15.07554 -Infinity 0.982781 -Infinity
24039
167 pt 2.42123 -2.87039 -16.25376 Infinity 0.951247 Infinity
24040
168 pt 3.92595 -2.05099 -13.68643 Infinity 1.096853 Infinity
24041
169 pt -0.09198 1.19601 -16.39152 -Infinity 1.028457 -Infinity
24042
170 pt 1.54217 1.93466 -16.98734 Infinity 0.989078 Infinity
24043
171 pt -0.97587 2.43809 -15.27480 Infinity 1.118842 Infinity
24044
172 pt -1.95643 -2.89939 -11.69130 -Infinity 1.271352 -Infinity
24045
173 pt -0.31642 -3.32070 -10.85229 Infinity 1.327266 Infinity
24046
174 pt -2.61626 -1.26772 -11.00330 Infinity 1.415378 Infinity
24047
175 pt 2.61901 -3.73649 -8.93671 -Infinity 1.415084 -Infinity
24048
176 pt 3.02707 -2.04166 -9.66618 Infinity 1.458114 Infinity
24049
177 pt 4.17403 -4.81021 -8.92702 Infinity 1.277153 Infinity
24050
178 pt -3.13457 -2.75179 -17.46247 -Infinity 0.898644 -Infinity
24051
179 pt -2.18432 -1.14369 -17.17594 Infinity 0.946282 Infinity
24052
180 pt -3.14014 -3.77322 -15.87259 Infinity 0.953718 Infinity
24053
181 pt -2.37334 5.77746 -19.79278 -Infinity 0.843793 -Infinity
24054
182 pt -0.86922 6.26145 -18.75622 Infinity 0.893228 Infinity
24055
183 pt -3.65336 7.16640 -19.73417 Infinity 0.830010 Infinity
24056
184 pt 17.61824 2.77546 -20.84226 -Infinity 0.595788 -Infinity
24057
185 pt 17.37525 1.75656 -19.26941 Infinity 0.624930 Infinity
24058
186 pt 18.63192 1.78020 -22.08845 Infinity 0.561259 Infinity
24059
187 pt 8.87641 -4.30939 -16.48299 -Infinity 0.809720 -Infinity
24060
188 pt 9.17515 -6.03985 -17.18108 Infinity 0.755306 Infinity
24061
189 pt 7.02393 -4.04753 -16.21688 Infinity 0.859063 Infinity
24062
190 pt 18.69804 -5.45628 -12.56870 -Infinity 0.661421 -Infinity
24063
191 pt 18.43452 -5.72195 -14.42100 Infinity 0.639413 Infinity
24064
192 pt 17.29826 -6.28501 -11.60699 Infinity 0.696277 Infinity
24065
193 pt 6.85502 -6.63346 -9.49673 -Infinity 1.048846 -Infinity
24066
194 pt 8.36015 -5.61878 -10.02214 Infinity 1.019368 Infinity
24067
195 pt 6.14766 -7.53679 -10.99830 Infinity 0.974330 Infinity
24068
196 pt 7.28604 3.21660 -13.81095 -Infinity 1.068977 -Infinity
24069
197 pt 7.94023 4.98913 -13.77614 Infinity 1.043545 Infinity
24070
198 pt 6.28505 2.94439 -15.39050 Infinity 1.006500 Infinity
24071
199 pt 18.09301 -0.64831 -10.51919 -Infinity 0.750709 -Infinity
24072
200 pt 16.96808 0.45219 -11.56538 Infinity 0.774993 Infinity
24073
201 pt 18.10772 -2.39717 -11.23498 Infinity 0.724870 Infinity
24074
202 pt 16.49234 -0.69583 -17.13458 -Infinity 0.671970 -Infinity
24075
203 pt 14.82793 -0.98988 -17.97976 Infinity 0.686150 Infinity
24076
204 pt 17.49216 -2.29940 -17.13488 Infinity 0.643317 Infinity
24077
205 pt 18.34765 3.21854 -7.00218 -Infinity 0.809622 -Infinity
24078
206 pt 18.15801 1.76324 -8.19264 Infinity 0.797353 Infinity
24079
207 pt 17.55074 4.75768 -7.75523 Infinity 0.830114 Infinity
24080
208 pt 14.37969 -6.41967 -20.43669 -Infinity 0.604924 -Infinity
24081
209 pt 13.11036 -7.60418 -19.69049 Infinity 0.622633 Infinity
24082
210 pt 13.63110 -4.68897 -20.56066 Infinity 0.627207 Infinity
24083
211 pt 18.69237 -5.53017 -17.80981 -Infinity 0.590381 -Infinity
24084
212 pt 19.60324 -7.17957 -17.66539 Infinity 0.566201 Infinity
24085
213 pt 17.14990 -5.75269 -18.87861 Infinity 0.596804 Infinity
24086
214 pt 15.32868 2.62860 -13.27353 -Infinity 0.798895 -Infinity
24087
215 pt 15.60765 4.48031 -13.52732 Infinity 0.784719 Infinity
24088
216 pt 15.75370 1.70254 -14.86502 Infinity 0.746712 Infinity
24089
217 pt 12.13368 -1.76039 -19.54099 -Infinity 0.693986 -Infinity
24090
218 pt 11.31588 -0.49588 -20.68261 Infinity 0.686688 Infinity
24091
219 pt 10.83330 -2.50457 -18.38934 Infinity 0.739757 Infinity
24092
220 pt 10.79349 -4.03851 -11.69170 -Infinity 0.922144 -Infinity
24093
221 pt 10.24392 -4.17549 -13.49455 Infinity 0.877243 Infinity
24094
222 pt 10.91580 -2.21635 -11.20607 Infinity 0.975887 Infinity
24095
223 pt 10.94451 1.05123 -10.90197 -Infinity 1.043414 -Infinity
24096
224 pt 12.62005 1.70129 -11.48599 Infinity 0.947715 Infinity
24097
225 pt 9.57063 1.81774 -11.94886 Infinity 1.069267 Infinity
24098
226 pt -20.51216 13.56484 -11.32195 -Infinity 0.651619 -Infinity
24099
227 pt -21.63189 15.03297 -10.91964 Infinity 0.617085 Infinity
24100
228 pt -21.18444 12.65471 -12.83548 Infinity 0.629466 Infinity
24101
229 pt -10.46527 8.63277 -8.09918 -Infinity 1.215454 -Infinity
24102
230 pt -11.63959 7.17420 -7.84504 Infinity 1.188120 Infinity
24103
231 pt -11.46417 10.18184 -8.51590 Infinity 1.082954 Infinity
24104
232 pt -8.15586 14.57227 -12.86743 -Infinity 0.896651 -Infinity
24105
233 pt -9.14653 13.06947 -13.44295 Infinity 0.897853 Infinity
24106
234 pt -7.96235 14.51850 -10.98840 Infinity 0.967281 Infinity
24107
235 pt -17.59379 8.01627 -18.38067 -Infinity 0.648021 -Infinity
24108
236 pt -17.41507 6.38179 -19.31211 Infinity 0.640070 Infinity
24109
237 pt -18.07832 7.67067 -16.58711 Infinity 0.673495 Infinity
24110
238 pt -10.47258 10.04329 -14.53193 -Infinity 0.891884 -Infinity
24111
239 pt -11.28527 8.48430 -13.83898 Infinity 0.919865 Infinity
24112
240 pt -11.58699 10.79990 -15.85733 Infinity 0.807169 Infinity
24113
241 pt -15.75702 15.93878 -12.14326 -Infinity 0.710731 -Infinity
24114
242 pt -17.40107 15.04925 -11.86602 Infinity 0.693651 Infinity
24115
243 pt -15.74134 17.55524 -11.16455 Infinity 0.696150 Infinity
24116
244 pt -7.46753 19.13535 -14.92642 -Infinity 0.728695 -Infinity
24117
245 pt -7.66246 17.40019 -14.20373 Infinity 0.785896 Infinity
24118
246 pt -8.55468 20.34527 -13.96451 Infinity 0.707289 Infinity
24119
247 pt -10.53627 7.73406 -20.48592 -Infinity 0.719566 -Infinity
24120
248 pt -10.80888 6.05834 -19.65604 Infinity 0.748235 Infinity
24121
249 pt -11.67102 9.02177 -19.69522 Infinity 0.715151 Infinity
24122
250 pt -14.36932 17.86716 -17.06408 -Infinity 0.627025 -Infinity
24123
251 pt -14.75106 17.00465 -15.42657 Infinity 0.659696 Infinity
24124
252 pt -14.51660 19.73791 -16.84118 Infinity 0.602558 Infinity
24125
253 pt -12.66502 13.32469 -8.67148 -Infinity 0.923989 -Infinity
24126
254 pt -13.65325 14.07265 -10.09802 Infinity 0.839119 Infinity
24127
255 pt -13.49631 13.76046 -7.03132 Infinity 0.913042 Infinity
24128
256 pt -13.67830 11.26792 -18.59644 -Infinity 0.689268 -Infinity
24129
257 pt -14.24627 12.83372 -19.48906 Infinity 0.646401 Infinity
24130
258 pt -15.15900 10.12669 -18.32044 Infinity 0.679820 Infinity
24131
259 pt -9.55343 17.21480 -19.29743 -Infinity 0.653477 -Infinity
24132
260 pt -11.34688 17.11206 -18.71090 Infinity 0.647197 Infinity
24133
261 pt -8.50761 18.07793 -17.98125 Infinity 0.676263 Infinity
24134
262 pt -16.11532 15.20520 -21.27369 -Infinity 0.570800 -Infinity
24135
263 pt -15.75169 16.40766 -19.86198 Infinity 0.584661 Infinity
24136
264 pt -16.14018 16.14541 -22.91273 Infinity 0.539926 Infinity
24137
265 pt -15.56827 20.36333 -9.39386 -Infinity 0.666149 -Infinity
24138
266 pt -16.07068 22.00867 -10.17584 Infinity 0.621033 Infinity
24139
267 pt -16.21934 20.28210 -7.62170 Infinity 0.671460 Infinity
24140
268 pt -5.83199 9.47566 -18.95146 -Infinity 0.817551 -Infinity
24141
269 pt -7.58203 8.93922 -19.42118 Infinity 0.784912 Infinity
24142
270 pt -5.66628 9.50968 -17.06932 Infinity 0.897327 Infinity
24143
271 pt 3.38441 18.20481 -19.47595 -Infinity 0.671812 -Infinity
24144
272 pt 1.56551 18.01042 -19.95017 Infinity 0.671031 Infinity
24145
273 pt 4.34350 16.66655 -20.00978 Infinity 0.680399 Infinity
24146
274 pt -5.40752 14.21746 -21.14233 -Infinity 0.688566 -Infinity
24147
275 pt -5.41255 12.47927 -20.40089 Infinity 0.732638 Infinity
24148
276 pt -6.94639 15.15244 -20.56895 Infinity 0.678951 Infinity
24149
277 pt 1.81477 7.96252 -17.37459 -Infinity 0.938080 -Infinity
24150
278 pt 1.91184 9.15841 -15.91463 Infinity 0.996964 Infinity
24151
279 pt 2.11320 8.90642 -18.98427 Infinity 0.847345 Infinity
24152
280 pt -2.39334 19.06226 -15.80484 -Infinity 0.745979 -Infinity
24153
281 pt -4.25570 19.13869 -15.49361 Infinity 0.742877 Infinity
24154
282 pt -2.07357 18.64942 -17.62098 Infinity 0.713319 Infinity
24155
283 pt -1.68234 19.08774 -8.26704 -Infinity 0.933906 -Infinity
24156
284 pt -3.50996 19.43637 -7.93637 Infinity 0.912270 Infinity
24157
285 pt -0.81891 18.65375 -6.64309 Infinity 0.995699 Infinity
24158
286 pt 0.52004 16.42956 -12.34777 -Infinity 0.934812 -Infinity
24159
287 pt -0.15320 16.97693 -10.66903 Infinity 0.971195 Infinity
24160
288 pt -0.61745 17.05880 -13.71936 Infinity 0.865960 Infinity
24161
289 pt 1.98065 6.69710 -10.83122 -Infinity 1.515960 -Infinity
24162
290 pt 2.12086 8.35918 -11.71944 Infinity 1.337355 Infinity
24163
291 pt 3.13421 6.68227 -9.33451 Infinity 1.678381 Infinity
24164
292 pt -3.42670 11.77690 -8.96843 -Infinity 1.359540 -Infinity
24165
293 pt -1.84666 12.20825 -8.02584 Infinity 1.431721 Infinity
24166
294 pt -4.79610 12.98909 -8.49262 Infinity 1.255430 Infinity
24167
295 pt -1.69239 17.86562 -20.75920 -Infinity 0.657141 -Infinity
24168
296 pt -2.77245 16.31592 -20.70484 Infinity 0.680600 Infinity
24169
297 pt -2.14216 18.89517 -22.27867 Infinity 0.610601 Infinity
24170
298 pt 2.49166 11.35977 -13.31680 -Infinity 1.080676 -Infinity
24171
299 pt 4.29093 11.88126 -13.56523 Infinity 1.017061 Infinity
24172
300 pt 1.45568 12.86989 -12.85061 Infinity 1.058169 Infinity
24173
301 pt 4.15253 19.68006 -14.52760 -Infinity 0.745120 -Infinity
24174
302 pt 4.10423 19.22717 -16.36162 Infinity 0.716193 Infinity
24175
303 pt 3.17468 18.40252 -13.53626 Infinity 0.812425 Infinity
24176
304 pt -5.34369 9.06368 -13.58435 -Infinity 1.103204 -Infinity
24177
305 pt -4.56431 10.12328 -12.22757 Infinity 1.179247 Infinity
24178
306 pt -7.21176 9.34765 -13.61182 Infinity 1.042508 Infinity
24179
307 pt 5.51921 12.74783 -7.79956 -Infinity 1.249170 -Infinity
24180
308 pt 6.84919 11.60318 -8.50101 Infinity 1.220055 Infinity
24181
309 pt 6.04117 14.54719 -8.04638 Infinity 1.103479 Infinity
24182
310 pt 7.55431 17.69530 -8.34983 -Infinity 0.900733 -Infinity
24183
311 pt 8.93135 16.86301 -7.35881 Infinity 0.919007 Infinity
24184
312 pt 8.25722 18.35600 -9.97478 Infinity 0.828701 Infinity
24185
313 pt 12.51254 8.26329 -17.98031 -Infinity 0.732386 -Infinity
24186
314 pt 12.76230 7.06119 -19.41684 Infinity 0.698276 Infinity
24187
315 pt 12.89618 10.02205 -18.55535 Infinity 0.697295 Infinity
24188
316 pt 15.15877 14.50941 -15.18404 -Infinity 0.674514 -Infinity
24189
317 pt 14.53024 13.69585 -16.76964 Infinity 0.667936 Infinity
24190
318 pt 16.96781 15.00884 -15.40543 Infinity 0.632426 Infinity
24191
319 pt 11.69218 13.42589 -11.37749 -Infinity 0.854892 -Infinity
24192
320 pt 13.10793 13.80736 -12.56963 Infinity 0.780188 Infinity
24193
321 pt 12.02058 14.26793 -9.71791 Infinity 0.862711 Infinity
24194
322 pt 19.34258 17.78522 -10.15276 -Infinity 0.615293 -Infinity
24195
323 pt 20.00733 18.81383 -11.59190 Infinity 0.579768 Infinity
24196
324 pt 17.61210 18.38884 -9.69216 Infinity 0.642690 Infinity
24197
325 pt 14.81925 20.47544 -9.64203 -Infinity 0.657772 -Infinity
24198
326 pt 12.98036 20.09692 -9.42687 Infinity 0.699982 Infinity
24199
327 pt 15.06826 21.53923 -11.18392 Infinity 0.620288 Infinity
24200
328 pt 14.98958 21.15041 -20.51342 -Infinity 0.525913 -Infinity
24201
329 pt 16.21385 22.53866 -20.89420 Infinity 0.498396 Infinity
24202
330 pt 13.51704 21.26687 -21.69203 Infinity 0.523660 Infinity
24203
331 pt 13.89714 12.83428 -19.90002 -Infinity 0.628999 -Infinity
24204
332 pt 15.54440 12.73368 -20.82059 Infinity 0.591797 Infinity
24205
333 pt 12.66680 13.84585 -20.91692 Infinity 0.617110 Infinity
24206
334 pt 19.90036 11.17119 -7.02000 -Infinity 0.710103 -Infinity
24207
335 pt 21.11672 11.41625 -8.44530 Infinity 0.663363 Infinity
24208
336 pt 19.66648 12.80628 -6.10193 Infinity 0.704796 Infinity
24209
337 pt 15.86273 7.87106 -13.98276 -Infinity 0.752178 -Infinity
24210
338 pt 14.54446 7.97832 -15.33247 Infinity 0.755223 Infinity
24211
339 pt 17.31750 8.99069 -14.43128 Infinity 0.698474 Infinity
24212
340 pt 16.39520 7.65077 -8.74054 -Infinity 0.843500 -Infinity
24213
341 pt 16.02365 7.79587 -10.58769 Infinity 0.820207 Infinity
24214
342 pt 17.57349 9.03469 -8.22336 Infinity 0.793784 Infinity
24215
343 pt 7.35604 12.96709 -14.14008 -Infinity 0.894710 -Infinity
24216
344 pt 7.55482 14.02919 -15.69040 Infinity 0.813283 Infinity
24217
345 pt 8.83939 13.23164 -12.99958 Infinity 0.892296 Infinity
24218
346 pt 9.16165 19.75385 -12.73451 -Infinity 0.723125 -Infinity
24219
347 pt 10.48552 19.52292 -14.06308 Infinity 0.687095 Infinity
24220
348 pt 7.45227 19.75254 -13.54017 Infinity 0.731013 Infinity
24221
349 pt 19.08924 7.72275 -19.74199 -Infinity 0.584287 -Infinity
24222
350 pt 19.73368 8.29803 -21.42271 Infinity 0.549994 Infinity
24223
351 pt 18.67398 5.88096 -19.82222 Infinity 0.594125 Infinity
24224
352 pt 19.79478 20.54215 -14.54929 -Infinity 0.539448 -Infinity
24225
353 pt 20.98728 21.54739 -15.61631 Infinity 0.507332 Infinity
24226
354 pt 18.17460 21.49341 -14.34637 Infinity 0.550661 Infinity
24227
355 pt 8.64407 15.94060 -18.12351 -Infinity 0.697328 -Infinity
24228
356 pt 9.97509 17.12264 -17.48929 Infinity 0.675071 Infinity
24229
357 pt 8.94243 15.57806 -19.95397 Infinity 0.659191 Infinity
24230
358 pt 8.82616 8.03351 -14.40714 -Infinity 0.948692 -Infinity
24231
359 pt 8.04671 9.75458 -14.44488 Infinity 0.940259 Infinity
24232
360 pt 10.17950 7.92482 -15.72157 Infinity 0.858317 Infinity
24233
361 pt 9.29225 9.05866 -9.37464 -Infinity 1.150326 -Infinity
24234
362 pt 10.64733 10.37501 -9.41960 Infinity 1.035917 Infinity
24235
363 pt 9.11064 8.28133 -11.08749 Infinity 1.093975 Infinity
24236
364 pt 12.59665 18.81059 -16.48612 -Infinity 0.632519 -Infinity
24237
365 pt 13.51642 19.77210 -17.82797 Infinity 0.588872 Infinity
24238
366 pt 13.68245 17.39207 -15.86974 Infinity 0.648005 Infinity
24239
367 pt 19.85637 15.93879 -16.90101 -Infinity 0.559875 -Infinity
24240
368 pt 19.89664 16.39183 -18.73519 Infinity 0.535925 Infinity
24241
369 pt 20.11656 17.49492 -15.86089 Infinity 0.553317 Infinity
24242
370 pt 20.01761 10.81342 -15.74683 -Infinity 0.609937 -Infinity
24243
371 pt 19.77100 9.70771 -17.25933 Infinity 0.600338 Infinity
24244
372 pt 20.13905 12.61721 -16.29698 Infinity 0.588669 Infinity
24245
373 pt -10.99973 -18.26667 -1.58812 -Infinity 0.660338 -Infinity
24246
374 pt -12.19112 -16.96501 -0.91187 Infinity 0.677602 Infinity
24247
375 pt -9.67839 -17.42447 -2.64445 Infinity 0.696644 Infinity
24248
376 pt -17.07082 -16.08787 3.90708 -Infinity 0.611910 -Infinity
24249
377 pt -15.88624 -15.62044 2.51089 Infinity 0.644732 Infinity
24250
378 pt -17.82565 -14.52061 4.64533 Infinity 0.623916 Infinity
24251
379 pt -7.64994 -15.34517 -4.31909 -Infinity 0.780886 -Infinity
24252
380 pt -5.84107 -15.10076 -3.82991 Infinity 0.814755 Infinity
24253
381 pt -8.56352 -13.69505 -4.20275 Infinity 0.828808 Infinity
24254
382 pt -18.71630 -16.46949 -4.51885 -Infinity 0.586980 -Infinity
24255
383 pt -19.33048 -15.17991 -3.28159 Infinity 0.601168 Infinity
24256
384 pt -19.81721 -16.44498 -6.05458 Infinity 0.567045 Infinity
24257
385 pt -9.86958 -10.73164 -3.77466 -Infinity 0.926325 -Infinity
24258
386 pt -8.61632 -10.35957 -2.41013 Infinity 0.991058 Infinity
24259
387 pt -11.58603 -10.16109 -3.22755 Infinity 0.902754 Infinity
24260
388 pt -10.02700 -11.78005 3.35274 -Infinity 0.861717 -Infinity
24261
389 pt -8.56517 -11.65388 2.16185 Infinity 0.913982 Infinity
24262
390 pt -10.23781 -10.14072 4.26884 Infinity 0.909044 Infinity
24263
391 pt -13.61008 -14.11732 0.31867 -Infinity 0.726615 -Infinity
24264
392 pt -12.36112 -13.30662 1.48225 Infinity 0.771215 Infinity
24265
393 pt -14.28236 -12.82485 -0.88492 Infinity 0.748774 Infinity
24266
394 pt -18.89256 -11.57910 5.90754 -Infinity 0.646003 -Infinity
24267
395 pt -17.49426 -10.44896 6.48945 Infinity 0.688797 Infinity
24268
396 pt -19.96405 -10.66110 4.65046 Infinity 0.647456 Infinity
24269
397 pt -17.70217 -20.26344 6.80332 -Infinity 0.526217 -Infinity
24270
398 pt -18.03030 -19.64997 8.56032 Infinity 0.522498 Infinity
24271
399 pt -17.52636 -18.78389 5.64095 Infinity 0.554382 Infinity
24272
400 pt -16.47244 -7.48579 1.83757 -Infinity 0.818329 -Infinity
24273
401 pt -15.80443 -7.69946 3.59233 Infinity 0.821112 Infinity
24274
402 pt -18.32419 -7.86219 1.81720 Infinity 0.751732 Infinity
24275
403 pt -10.83504 -16.28222 6.09080 -Infinity 0.681177 -Infinity
24276
404 pt -10.06547 -17.55496 4.92505 Infinity 0.668061 Infinity
24277
405 pt -10.60367 -14.54905 5.37409 Infinity 0.737108 Infinity
24278
406 pt -14.75561 -9.61326 -2.50360 -Infinity 0.824908 -Infinity
24279
407 pt -15.44173 -8.47205 -3.84448 Infinity 0.828618 Infinity
24280
408 pt -15.26897 -8.96858 -0.80304 Infinity 0.829257 Infinity
24281
409 pt -15.26513 -7.85025 6.85553 -Infinity 0.791676 -Infinity
24282
410 pt -13.44177 -7.38504 6.68233 Infinity 0.861292 Infinity
24283
411 pt -16.24583 -6.34819 7.44977 Infinity 0.784606 Infinity
24284
412 pt -9.15434 -20.04404 2.90453 -Infinity 0.628138 -Infinity
24285
413 pt -9.72702 -21.82640 3.16199 Infinity 0.584764 Infinity
24286
414 pt -9.67208 -19.45718 1.18448 Infinity 0.642713 Infinity
24287
415 pt 4.74263 -10.87171 2.62631 -Infinity 1.005560 -Infinity
24288
416 pt 5.45492 -12.53616 3.16790 Infinity 0.899356 Infinity
24289
417 pt 5.78507 -9.47289 3.35273 Infinity 1.049055 Infinity
24290
418 pt 1.39279 -12.03773 -5.60168 -Infinity 0.972257 -Infinity
24291
419 pt 1.90542 -13.30983 -6.90170 Infinity 0.883375 Infinity
24292
420 pt 2.79705 -11.80477 -4.35875 Infinity 0.989449 Infinity
24293
421 pt -5.13489 -20.95876 6.01162 -Infinity 0.615817 -Infinity
24294
422 pt -4.30839 -22.59378 5.54828 Infinity 0.586190 Infinity
24295
423 pt -6.38207 -20.48110 4.67467 Infinity 0.628826 Infinity
24296
424 pt 0.80655 -14.65009 6.66277 -Infinity 0.803826 -Infinity
24297
425 pt 1.28658 -15.88755 5.31766 Infinity 0.775596 Infinity
24298
426 pt 0.34542 -12.99964 5.86625 Infinity 0.886343 Infinity
24299
427 pt 2.05849 -18.14119 3.17919 -Infinity 0.715991 -Infinity
24300
428 pt 2.05720 -19.83688 4.01329 Infinity 0.662220 Infinity
24301
429 pt 0.99260 -18.20418 1.62003 Infinity 0.725204 Infinity
24302
430 pt 5.51209 -11.81955 -2.46077 -Infinity 0.958240 -Infinity
24303
431 pt 5.14307 -11.37456 -0.66164 Infinity 0.994034 Infinity
24304
432 pt 6.27714 -13.54568 -2.53964 Infinity 0.861242 Infinity
24305
433 pt 3.41916 -19.86919 -3.86373 -Infinity 0.666339 -Infinity
24306
434 pt 3.58604 -20.32871 -5.68912 Infinity 0.646083 Infinity
24307
435 pt 3.85305 -21.36549 -2.79420 Infinity 0.628604 Infinity
24308
436 pt 6.55194 -15.50129 3.81200 -Infinity 0.761638 -Infinity
24309
437 pt 7.58638 -16.40604 5.10908 Infinity 0.710726 Infinity
24310
438 pt 5.02952 -16.53619 3.38506 Infinity 0.747169 Infinity
24311
439 pt -0.79120 -18.45813 -1.21442 -Infinity 0.724174 -Infinity
24312
440 pt 0.69396 -18.89520 -2.29810 Infinity 0.707875 Infinity
24313
441 pt -2.03092 -19.88417 -1.23803 Infinity 0.679123 Infinity
24314
442 pt -2.83511 -13.97799 -2.79863 -Infinity 0.897045 -Infinity
24315
443 pt -1.49242 -13.11314 -3.80871 Infinity 0.941175 Infinity
24316
444 pt -2.12834 -15.55074 -2.02532 Infinity 0.830325 Infinity
24317
445 pt -0.17208 -10.23512 4.23719 -Infinity 1.076317 -Infinity
24318
446 pt 1.57485 -10.29569 3.51911 Infinity 1.077953 Infinity
24319
447 pt -1.26920 -9.15871 3.13777 Infinity 1.186128 Infinity
24320
448 pt -6.12880 -10.84941 -0.06947 -Infinity 1.031718 -Infinity
24321
449 pt -4.94122 -12.04287 -0.92760 Infinity 0.984505 Infinity
24322
450 pt -5.18627 -9.30533 0.47688 Infinity 1.160487 Infinity
24323
451 pt 7.76591 -7.18954 4.61042 -Infinity 1.079939 -Infinity
24324
452 pt 9.38299 -7.68424 3.76698 Infinity 1.009899 Infinity
24325
453 pt 8.12037 -6.64735 6.38565 Infinity 1.038796 Infinity
24326
454 pt 17.83893 -21.01190 -0.73848 -Infinity 0.520129 -Infinity
24327
455 pt 16.80786 -21.52336 0.76031 Infinity 0.522377 Infinity
24328
456 pt 17.74484 -19.13745 -0.95908 Infinity 0.547554 Infinity
24329
457 pt 10.07092 -19.79990 0.44170 -Infinity 0.620409 -Infinity
24330
458 pt 8.83642 -20.63457 1.60377 Infinity 0.611336 Infinity
24331
459 pt 11.72872 -19.59358 1.32499 Infinity 0.606108 Infinity
24332
460 pt 17.98751 -20.08072 -6.03321 -Infinity 0.524286 -Infinity
24333
461 pt 16.66578 -20.87588 -7.12491 Infinity 0.523387 Infinity
24334
462 pt 17.82060 -20.72969 -4.26628 Infinity 0.521325 Infinity
24335
463 pt 16.77534 -16.03414 -1.64682 -Infinity 0.609997 -Infinity
24336
464 pt 16.47138 -16.29727 -3.49329 Infinity 0.607535 Infinity
24337
465 pt 15.31652 -15.09782 -0.89437 Infinity 0.651352 Infinity
24338
466 pt 21.35337 -8.75211 2.25162 -Infinity 0.630600 -Infinity
24339
467 pt 20.93490 -10.03367 0.92741 Infinity 0.626526 Infinity
24340
468 pt 20.19564 -7.26823 2.08179 Infinity 0.676929 Infinity
24341
469 pt 20.71894 -12.57724 -1.40590 -Infinity 0.598212 -Infinity
24342
470 pt 19.86514 -11.24474 -2.43864 Infinity 0.632400 Infinity
24343
471 pt 19.53434 -14.02549 -1.14063 Infinity 0.598138 Infinity
24344
472 pt 8.75086 -8.62868 -5.08561 -Infinity 1.003237 -Infinity
24345
473 pt 7.48727 -9.63922 -4.10929 Infinity 1.009012 Infinity
24346
474 pt 7.93410 -7.92854 -6.63925 Infinity 1.036880 Infinity
24347
475 pt 13.08368 -11.32579 -4.44233 -Infinity 0.778883 -Infinity
24348
476 pt 11.55388 -10.28212 -4.81856 Infinity 0.848842 Infinity
24349
477 pt 12.89100 -12.13979 -2.74783 Infinity 0.768700 Infinity
24350
478 pt 12.69850 -8.82513 2.88450 -Infinity 0.858969 -Infinity
24351
479 pt 13.18544 -8.66090 4.70302 Infinity 0.827796 Infinity
24352
480 pt 13.06544 -7.20466 1.98424 Infinity 0.905006 Infinity
24353
481 pt 7.36720 -16.67957 -2.84942 -Infinity 0.730628 -Infinity
24354
482 pt 5.80780 -17.68137 -3.21786 Infinity 0.715308 Infinity
24355
483 pt 8.43286 -17.60920 -1.59594 Infinity 0.692872 Infinity
24356
484 pt 17.75985 -9.22628 -3.76184 -Infinity 0.709852 -Infinity
24357
485 pt 16.06502 -10.02628 -4.00392 Infinity 0.736662 Infinity
24358
486 pt 17.67784 -7.40818 -4.27061 Infinity 0.742471 Infinity
24359
487 pt 10.41888 -17.56459 -7.19967 -Infinity 0.648689 -Infinity
24360
488 pt 11.16529 -19.14735 -6.48635 Infinity 0.610621 Infinity
24361
489 pt 9.21860 -16.81333 -5.94827 Infinity 0.689518 Infinity
24362
490 pt 14.38786 -19.25402 3.15843 -Infinity 0.578264 -Infinity
24363
491 pt 15.53905 -17.75700 3.08963 Infinity 0.590418 Infinity
24364
492 pt 14.13491 -19.77327 4.95772 Infinity 0.565501 Infinity
24365
493 pt 12.70388 -13.36252 0.30641 -Infinity 0.740120 -Infinity
24366
494 pt 11.22984 -14.37817 0.91198 Infinity 0.739508 Infinity
24367
495 pt 12.80407 -11.74976 1.28623 Infinity 0.779463 Infinity
24368
496 pt -21.21178 -2.74347 -5.23847 -Infinity 0.728798 -Infinity
24369
497 pt -20.62476 -1.83656 -6.78895 Infinity 0.743671 Infinity
24370
498 pt -22.97512 -3.36930 -5.50315 Infinity 0.671003 Infinity
24371
499 pt -9.82234 2.07304 -3.93727 -Infinity 1.647925 -Infinity
24372
500 pt -11.01974 2.75666 -5.22955 Infinity 1.426656 Infinity
24373
501 pt -8.05351 2.54896 -4.40182 Infinity 1.960187 Infinity
24374
502 pt -7.84163 2.66257 6.20740 -Infinity 1.551290 -Infinity
24375
503 pt -6.93551 2.18123 4.62048 Infinity 1.858356 Infinity
24376
504 pt -9.69649 2.77744 5.86479 Infinity 1.396015 Infinity
24377
505 pt -15.02453 -3.39126 -0.90340 -Infinity 1.000926 -Infinity
24378
506 pt -15.72491 -4.71162 0.25297 Infinity 0.926416 Infinity
24379
507 pt -15.44511 -3.83183 -2.69227 Infinity 0.961481 Infinity
24380
508 pt -15.66199 5.16392 -2.15394 -Infinity 1.054304 -Infinity
24381
509 pt -17.37758 4.68693 -2.78662 Infinity 0.946953 Infinity
24382
510 pt -14.89416 3.69598 -1.24473 Infinity 1.121022 Infinity
24383
511 pt -13.07780 1.29952 0.05326 -Infinity 1.261574 -Infinity
24384
512 pt -11.72330 1.54474 -1.24144 Infinity 1.423082 Infinity
24385
513 pt -13.91133 -0.37509 -0.21502 Infinity 1.154055 Infinity
24386
514 pt -13.04256 2.70865 5.09846 -Infinity 1.150895 -Infinity
24387
515 pt -13.00607 2.23876 3.26845 Infinity 1.213851 Infinity
24388
516 pt -14.21241 1.54888 6.02446 Infinity 1.033990 Infinity
24389
517 pt -20.06184 3.36759 -3.83535 -Infinity 0.813973 -Infinity
24390
518 pt -21.27056 3.45179 -5.28552 Infinity 0.758301 Infinity
24391
519 pt -20.58935 1.99069 -2.65343 Infinity 0.795647 Infinity
24392
520 pt -10.48383 -4.41569 1.33637 -Infinity 1.241201 -Infinity
24393
521 pt -12.10645 -4.03146 0.44726 Infinity 1.156792 Infinity
24394
522 pt -9.03437 -3.76470 0.31347 Infinity 1.427776 Infinity
24395
523 pt -13.47419 4.66646 -6.82691 -Infinity 1.131263 -Infinity
24396
524 pt -14.38483 4.95985 -5.19727 Infinity 1.107259 Infinity
24397
525 pt -14.72485 4.26208 -8.18462 Infinity 1.010477 Infinity
24398
526 pt -16.69774 -5.62418 -5.35641 -Infinity 0.841287 -Infinity
24399
527 pt -18.39317 -4.79016 -5.38773 Infinity 0.795196 Infinity
24400
528 pt -15.56951 -4.80827 -6.63408 Infinity 0.887628 Infinity
24401
529 pt -10.19210 -6.99026 5.65683 -Infinity 1.014387 -Infinity
24402
530 pt -10.38531 -6.03812 4.03597 Infinity 1.094440 Infinity
24403
531 pt -8.51457 -6.58844 6.42852 Infinity 1.073094 Infinity
24404
532 pt 5.52736 2.65016 -4.06074 -Infinity 2.355039 -Infinity
24405
533 pt 6.35097 3.17827 -2.44400 Infinity 2.303989 Infinity
24406
534 pt 5.39319 4.13936 -5.21632 Infinity 2.230535 Infinity
24407
535 pt -1.60002 -3.19210 4.38457 -Infinity 1.816032 -Infinity
24408
536 pt -1.72734 -1.30800 4.45538 Infinity 2.126597 Infinity
24409
537 pt 0.21917 -3.69960 4.32074 Infinity 1.743732 Infinity
24410
538 pt -4.89830 3.24663 -4.94580 -Infinity 2.766922 -Infinity
24411
539 pt -5.04850 5.07058 -5.41665 Infinity 2.483135 Infinity
24412
540 pt -3.65208 3.05906 -3.53767 Infinity 4.119554 Infinity
24413
541 pt 0.58719 1.91584 5.69946 -Infinity 2.237510 -Infinity
24414
542 pt 0.32001 3.74591 6.08745 Infinity 2.194214 Infinity
24415
543 pt 2.28253 1.68172 4.89817 Infinity 2.307246 Infinity
24416
544 pt -3.04631 -6.84230 1.07756 -Infinity 1.460567 -Infinity
24417
545 pt -2.80670 -6.13156 -0.65694 Infinity 1.599075 Infinity
24418
546 pt -2.69062 -5.50335 2.36277 Infinity 1.604881 Infinity
24419
547 pt -7.05557 -2.18741 -1.77837 -Infinity 1.862686 -Infinity
24420
548 pt -7.91490 -1.08995 -3.05437 Infinity 1.816954 Infinity
24421
549 pt -5.46300 -2.88627 -2.51755 Infinity 1.961061 Infinity
24422
550 pt -2.43542 -4.22649 -3.42351 -Infinity 1.903336 -Infinity
24423
551 pt -2.14876 -5.47067 -4.81667 Infinity 1.602945 Infinity
24424
552 pt -1.03058 -2.96267 -3.40727 Infinity 2.267449 Infinity
24425
553 pt -5.62534 6.77316 1.45773 -Infinity 2.445123 -Infinity
24426
554 pt -6.71573 7.49068 0.09125 Infinity 2.158218 Infinity
24427
555 pt -5.83188 4.89546 1.50913 Infinity 2.682621 Infinity
24428
556 pt -5.66787 1.48071 1.69975 -Infinity 2.661606 -Infinity
24429
557 pt -3.99835 1.86278 0.90113 Infinity 3.922225 Infinity
24430
558 pt -6.51988 0.08949 0.74599 Infinity 2.297595 Infinity
24431
559 pt 1.94002 -1.34683 -4.30054 -Infinity 2.431786 -Infinity
24432
560 pt 3.24937 -0.00507 -4.06320 Infinity 2.589506 Infinity
24433
561 pt 2.26684 -2.26832 -5.91768 Infinity 1.939818 Infinity
24434
562 pt 5.34748 1.04917 3.70816 -Infinity 2.000144 -Infinity
24435
563 pt 5.98897 2.14276 2.30686 Infinity 2.153193 Infinity
24436
564 pt 6.65107 0.94188 5.07205 Infinity 1.629444 Infinity
24437
565 pt 3.61040 -3.88123 4.41977 -Infinity 1.561222 -Infinity
24438
566 pt 4.99815 -5.15301 4.25308 Infinity 1.364890 Infinity
24439
567 pt 4.23658 -2.18745 3.86292 Infinity 1.765945 Infinity
24440
568 pt 16.55097 -4.56506 -5.66576 -Infinity 0.820252 -Infinity
24441
569 pt 16.10199 -5.29853 -7.34847 Infinity 0.803567 Infinity
24442
570 pt 14.97082 -4.12482 -4.72748 Infinity 0.902533 Infinity
24443
571 pt 12.32974 3.20159 -0.44967 -Infinity 1.248046 -Infinity
24444
572 pt 12.49378 2.07324 1.05731 Infinity 1.208386 Infinity
24445
573 pt 14.03884 3.51415 -1.19288 Infinity 1.102405 Infinity
24446
574 pt 12.85314 0.36471 3.80634 -Infinity 1.096601 -Infinity
24447
575 pt 11.46507 0.47497 5.08391 Infinity 1.157153 Infinity
24448
576 pt 14.32251 1.40550 4.37972 Infinity 1.003344 Infinity
24449
577 pt 16.39475 3.96918 5.44339 -Infinity 0.883954 -Infinity
24450
578 pt 15.99966 5.80754 5.25526 Infinity 0.899555 Infinity
24451
579 pt 16.08586 3.43706 7.23014 Infinity 0.862745 Infinity
24452
580 pt 21.27509 3.59126 3.64662 -Infinity 0.718179 -Infinity
24453
581 pt 19.48456 3.60092 4.25074 Infinity 0.773825 Infinity
24454
582 pt 21.52871 2.15275 2.44768 Infinity 0.715590 Infinity
24455
583 pt 17.24675 3.47793 -2.06959 -Infinity 0.900786 -Infinity
24456
584 pt 18.23160 2.11590 -1.20589 Infinity 0.851546 Infinity
24457
585 pt 17.41557 3.28794 -3.94215 Infinity 0.882111 Infinity
24458
586 pt 18.49158 -4.12961 2.42116 -Infinity 0.767834 -Infinity
24459
587 pt 16.73928 -4.20484 1.71771 Infinity 0.834605 Infinity
24460
588 pt 18.41257 -4.09158 4.30885 Infinity 0.756458 Infinity
24461
589 pt 7.53359 4.48704 0.40325 -Infinity 1.972375 -Infinity
24462
590 pt 7.59400 6.06605 1.43967 Infinity 1.836410 Infinity
24463
591 pt 9.29025 3.97398 -0.06790 Infinity 1.635794 Infinity
24464
592 pt 20.65247 -0.46882 -0.62064 -Infinity 0.742045 -Infinity
24465
593 pt 21.10065 -1.36665 -2.22192 Infinity 0.720173 Infinity
24466
594 pt 19.94426 -1.70630 0.61958 Infinity 0.754253 Infinity
24467
595 pt 13.52231 -4.06894 1.02423 -Infinity 0.989346 -Infinity
24468
596 pt 13.09221 -2.48994 1.96914 Infinity 1.049743 Infinity
24469
597 pt 12.74062 -4.00805 -0.69516 Infinity 1.043397 Infinity
24470
598 pt 9.09708 -0.64341 -6.27015 -Infinity 1.359484 -Infinity
24471
599 pt 7.84480 0.56106 -5.52711 Infinity 1.602341 Infinity
24472
600 pt 9.85205 0.11305 -7.82863 Infinity 1.241397 Infinity
24473
601 pt 11.56982 -4.32766 -3.74551 -Infinity 1.084096 -Infinity
24474
602 pt 10.70351 -2.87581 -4.58973 Infinity 1.187023 Infinity
24475
603 pt 10.59353 -5.91468 -4.06063 Infinity 1.066314 Infinity
24476
604 pt -14.37489 14.79250 2.86227 -Infinity 0.876986 -Infinity
24477
605 pt -15.47905 14.28172 1.41624 Infinity 0.862824 Infinity
24478
606 pt -15.30358 14.53326 4.48751 Infinity 0.832957 Infinity
24479
607 pt -12.43161 7.91278 5.06404 -Infinity 1.139181 -Infinity
24480
608 pt -12.77933 6.05654 5.13126 Infinity 1.150722 Infinity
24481
609 pt -13.04589 8.61059 3.41880 Infinity 1.127930 Infinity
24482
610 pt -20.46171 8.37994 1.57153 -Infinity 0.775854 -Infinity
24483
611 pt -21.62528 8.42577 0.08323 Infinity 0.739853 Infinity
24484
612 pt -20.40128 6.62563 2.27139 Infinity 0.787274 Infinity
24485
613 pt -10.86252 18.03316 4.58921 -Infinity 0.857158 -Infinity
24486
614 pt -11.65104 19.20655 5.84319 Infinity 0.784155 Infinity
24487
615 pt -12.20394 16.96662 3.79287 Infinity 0.868146 Infinity
24488
616 pt -7.62739 9.69347 5.20700 -Infinity 1.414655 -Infinity
24489
617 pt -9.43535 9.14437 5.23531 Infinity 1.305382 Infinity
24490
618 pt -6.70483 8.75725 3.84926 Infinity 1.687397 Infinity
24491
619 pt -7.64290 14.62151 6.82715 -Infinity 1.041505 -Infinity
24492
620 pt -8.81643 15.74993 5.86769 Infinity 0.981195 Infinity
24493
621 pt -7.64057 12.90160 6.04422 Infinity 1.163318 Infinity
24494
622 pt -20.78291 18.64522 -0.96946 -Infinity 0.634230 -Infinity
24495
623 pt -22.28417 19.79284 -0.95370 Infinity 0.590059 Infinity
24496
624 pt -20.09736 18.47899 0.78366 Infinity 0.649052 Infinity
24497
625 pt -18.03106 12.78638 -0.37096 -Infinity 0.809634 -Infinity
24498
626 pt -18.79748 11.19560 0.30214 Infinity 0.807892 Infinity
24499
627 pt -19.39691 14.04200 -0.73005 Infinity 0.742368 Infinity
24500
628 pt -19.67271 18.34854 4.18053 -Infinity 0.646948 -Infinity
24501
629 pt -19.07922 19.95700 4.97531 Infinity 0.628274 Infinity
24502
630 pt -18.93725 16.87666 5.10991 Infinity 0.680168 Infinity
24503
631 pt -7.81318 14.55529 -7.57304 -Infinity 1.087800 -Infinity
24504
632 pt -7.71580 15.21062 -5.80326 Infinity 1.104147 Infinity
24505
633 pt -9.55642 13.90908 -7.91155 Infinity 1.043015 Infinity
24506
634 pt -12.91449 19.83864 -2.99525 -Infinity 0.779129 -Infinity
24507
635 pt -14.66093 20.20468 -3.61737 Infinity 0.728307 Infinity
24508
636 pt -12.10805 21.44064 -2.39999 Infinity 0.749930 Infinity
24509
637 pt -8.87655 13.43906 0.41741 -Infinity 1.227535 -Infinity
24510
638 pt -10.53229 13.62313 1.30944 Infinity 1.111791 Infinity
24511
639 pt -8.81466 11.76606 -0.45912 Infinity 1.368834 Infinity
24512
640 pt -13.92404 9.28417 0.20923 -Infinity 1.097546 -Infinity
24513
641 pt -15.16850 10.67927 -0.06665 Infinity 0.983330 Infinity
24514
642 pt -14.55155 7.70593 -0.61930 Infinity 1.098290 Infinity
24515
643 pt -8.63771 8.92541 -2.02871 -Infinity 1.640120 -Infinity
24516
644 pt -10.49537 8.60688 -2.16544 Infinity 1.430272 Infinity
24517
645 pt -7.82592 8.65772 -3.71407 Infinity 1.724335 Infinity
24518
646 pt -8.36046 17.33964 -2.88357 -Infinity 1.002549 -Infinity
24519
647 pt -8.42217 15.95093 -1.60344 Infinity 1.087469 Infinity
24520
648 pt -10.04035 18.20165 -2.96082 Infinity 0.911070 Infinity
24521
649 pt -17.64131 21.10224 -4.49206 -Infinity 0.647158 -Infinity
24522
650 pt -17.92006 22.97118 -4.47104 Infinity 0.609235 Infinity
24523
651 pt -18.78684 20.27928 -3.23446 Infinity 0.644428 Infinity
24524
652 pt -14.54622 14.75837 -4.13205 -Infinity 0.880037 -Infinity
24525
653 pt -14.06080 16.47719 -3.51471 Infinity 0.848707 Infinity
24526
654 pt -15.86946 14.03042 -2.99619 Infinity 0.858060 Infinity
24527
655 pt -1.04547 8.94456 2.24421 -Infinity 2.483092 -Infinity
24528
656 pt -2.65242 8.05165 1.80662 Infinity 2.723789 Infinity
24529
657 pt -0.44612 8.36940 3.94158 Infinity 2.277560 Infinity
24530
658 pt 5.16515 13.32437 6.05079 -Infinity 1.201644 -Infinity
24531
659 pt 7.05456 13.29980 6.07477 Infinity 1.126593 Infinity
24532
660 pt 4.50196 12.01573 7.24189 Infinity 1.245061 Infinity
24533
661 pt 1.96911 11.73584 -0.97366 -Infinity 1.882882 -Infinity
24534
662 pt 1.09763 10.57943 0.24055 Infinity 2.188422 Infinity
24535
663 pt 3.83434 11.67277 -0.67697 Infinity 1.753932 Infinity
24536
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24537
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24539
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24540
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24541
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24542
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24543
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24544
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24545
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24547
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24560
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24564
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24565
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24567
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24568
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24570
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24577
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24579
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24580
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24582
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24583
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24584
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24588
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24589
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24595
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24601
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24610
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24611
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24613
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24616
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24618
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24621
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24630
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24631
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24634
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24799
927 pt 1.02351 -0.46811 8.07513 Infinity 1.569894 Infinity
24800
928 pt -5.02896 6.57728 8.59092 -Infinity 1.439447 -Infinity
24801
929 pt -5.85153 4.98093 8.00260 Infinity 1.504333 Infinity
24802
930 pt -5.90129 8.06112 7.81098 Infinity 1.409842 Infinity
24803
931 pt 5.15089 3.62175 19.56520 -Infinity 0.746657 -Infinity
24804
932 pt 3.39594 2.93910 19.72390 Infinity 0.754700 Infinity
24805
933 pt 5.16418 5.04528 18.32244 Infinity 0.788661 Infinity
24806
934 pt -0.39772 3.00870 14.94089 -Infinity 0.996196 -Infinity
24807
935 pt -1.45896 4.50418 14.48438 Infinity 1.022455 Infinity
24808
936 pt -0.36954 2.80484 16.81938 Infinity 0.891736 Infinity
24809
937 pt -6.64426 3.06746 20.98052 -Infinity 0.698459 -Infinity
24810
938 pt -8.05623 3.05407 22.23640 Infinity 0.652720 Infinity
24811
939 pt -5.08996 3.77887 21.78620 Infinity 0.685817 Infinity
24812
940 pt -3.54155 6.82065 13.62281 -Infinity 1.040159 -Infinity
24813
941 pt -4.02147 6.90554 11.79701 Infinity 1.160873 Infinity
24814
942 pt -5.07583 6.45006 14.66191 Infinity 0.960616 Infinity
24815
943 pt 15.28955 2.36987 10.19339 -Infinity 0.822785 -Infinity
24816
944 pt 14.41913 3.27122 11.60796 Infinity 0.816595 Infinity
24817
945 pt 15.82132 0.65151 10.77264 Infinity 0.784296 Infinity
24818
946 pt 13.60353 5.48758 20.47037 -Infinity 0.619201 -Infinity
24819
947 pt 15.05710 4.42861 21.05071 Infinity 0.590819 Infinity
24820
948 pt 14.20975 6.75060 19.20217 Infinity 0.633311 Infinity
24821
949 pt 17.83264 -4.42493 7.54914 -Infinity 0.732974 -Infinity
24822
950 pt 17.61331 -3.43546 9.14410 Infinity 0.727658 Infinity
24823
951 pt 16.42002 -5.66854 7.37884 Infinity 0.757993 Infinity
24824
952 pt 20.63972 -5.69243 17.81693 -Infinity 0.535640 -Infinity
24825
953 pt 22.06784 -6.15054 18.96657 Infinity 0.503881 Infinity
24826
954 pt 19.21925 -6.91542 18.05702 Infinity 0.543167 Infinity
24827
955 pt 9.03186 -5.69480 9.46746 -Infinity 0.938936 -Infinity
24828
956 pt 8.50806 -6.82407 10.88923 Infinity 0.874128 Infinity
24829
957 pt 8.73237 -3.89245 9.95006 Infinity 0.983561 Infinity
24830
958 pt 8.08021 -1.06666 11.74691 -Infinity 0.990185 -Infinity
24831
959 pt 9.12323 -1.17996 13.31864 Infinity 0.888913 Infinity
24832
960 pt 6.27344 -0.76189 12.20928 Infinity 1.027008 Infinity
24833
961 pt 7.59031 6.14262 8.18668 -Infinity 1.275273 -Infinity
24834
962 pt 5.89007 6.69738 8.79699 Infinity 1.315401 Infinity
24835
963 pt 8.92505 6.80636 9.34814 Infinity 1.110706 Infinity
24836
964 pt 16.80378 -2.32911 12.31048 -Infinity 0.704957 -Infinity
24837
965 pt 15.60888 -3.45022 13.25197 Infinity 0.704311 Infinity
24838
966 pt 18.35495 -2.04455 13.35161 Infinity 0.654895 Infinity
24839
967 pt 10.05780 -1.84148 16.49898 -Infinity 0.753034 -Infinity
24840
968 pt 10.18829 -0.51533 17.83888 Infinity 0.722548 Infinity
24841
969 pt 8.44489 -2.80180 16.71667 Infinity 0.763499 Infinity
24842
970 pt 9.02807 1.27670 7.27218 -Infinity 1.240919 -Infinity
24843
971 pt 8.88798 0.32549 8.89903 Infinity 1.133779 Infinity
24844
972 pt 8.66380 3.10570 7.57731 Infinity 1.268588 Infinity
24845
973 pt 10.01200 1.83639 20.06938 -Infinity 0.674902 -Infinity
24846
974 pt 8.23295 2.46528 19.96673 Infinity 0.700566 Infinity
24847
975 pt 11.18344 3.29651 20.32793 Infinity 0.655441 Infinity
24848
976 pt 13.02418 4.68105 14.39942 -Infinity 0.776971 -Infinity
24849
977 pt 14.17957 5.93936 15.20737 Infinity 0.725371 Infinity
24850
978 pt 12.54693 3.35999 15.66358 Infinity 0.753166 Infinity
24851
979 pt 20.48376 -0.73546 19.46277 -Infinity 0.538598 -Infinity
24852
980 pt 21.58445 -0.96893 20.98101 Infinity 0.506784 Infinity
24853
981 pt 20.28910 -2.38668 18.56464 Infinity 0.547038 Infinity
24854
982 pt 13.50884 -5.46812 15.27661 -Infinity 0.683612 -Infinity
24855
983 pt 13.04465 -6.89549 16.42473 Infinity 0.652129 Infinity
24856
984 pt 12.36486 -3.99949 15.60144 Infinity 0.713320 Infinity
24857
985 pt -8.55983 13.14487 11.60942 -Infinity 0.897705 -Infinity
24858
986 pt -9.33525 11.43114 11.42800 Infinity 0.929784 Infinity
24859
987 pt -8.19327 13.85599 9.89740 Infinity 0.946725 Infinity
24860
988 pt -10.43542 18.37426 18.47160 -Infinity 0.604937 -Infinity
24861
989 pt -10.09196 17.95507 20.28196 Infinity 0.582427 Infinity
24862
990 pt -10.76315 16.78285 17.50668 Infinity 0.640091 Infinity
24863
991 pt -11.44290 8.86341 17.26624 -Infinity 0.727547 -Infinity
24864
992 pt -12.84568 7.74338 16.67563 Infinity 0.727242 Infinity
24865
993 pt -11.11900 8.55417 19.10214 Infinity 0.685822 Infinity
24866
994 pt -11.82216 13.92481 15.61243 -Infinity 0.706142 -Infinity
24867
995 pt -11.79537 12.21857 16.42429 Infinity 0.709817 Infinity
24868
996 pt -10.65667 13.93414 14.12495 Infinity 0.761606 Infinity
24869
997 pt -17.72019 14.22438 6.78917 -Infinity 0.737957 -Infinity
24870
998 pt -19.25313 13.23263 6.30171 Infinity 0.717542 Infinity
24871
999 pt -17.17035 13.72296 8.52621 Infinity 0.736862 Infinity
24872
1000 pt -16.78839 12.13260 11.60126 -Infinity 0.717197 -Infinity
24873
1001 pt -17.48319 10.39524 11.86563 Infinity 0.715136 Infinity
24874
1002 pt -14.97911 12.17803 12.14484 Infinity 0.748210 Infinity
24875
1003 pt -11.12417 8.79069 10.23756 -Infinity 0.978483 -Infinity
24876
1004 pt -11.71691 8.82639 8.44356 Infinity 1.026253 Infinity
24877
1005 pt -11.29052 7.03723 10.92224 Infinity 0.971092 Infinity
24878
1006 pt -21.45672 14.31261 12.50294 -Infinity 0.589532 -Infinity
24879
1007 pt -21.54139 15.99508 13.35921 Infinity 0.564555 Infinity
24880
1008 pt -19.64979 13.79717 12.30195 Infinity 0.628443 Infinity
24881
1009 pt -16.10634 17.16412 16.42903 -Infinity 0.590753 -Infinity
24882
1010 pt -14.88179 15.81371 15.93109 Infinity 0.630023 Infinity
24883
1011 pt -15.33967 18.86103 16.10693 Infinity 0.584949 Infinity
24884
1012 pt -7.99358 20.83355 10.28603 -Infinity 0.727873 -Infinity
24885
1013 pt -9.74675 20.75072 9.58559 Infinity 0.719791 Infinity
24886
1014 pt -6.77770 21.23812 8.89714 Infinity 0.753376 Infinity
24887
1015 pt -0.48096 9.94791 16.49140 -Infinity 0.855208 -Infinity
24888
1016 pt -1.63712 8.87621 15.44938 Infinity 0.918688 Infinity
24889
1017 pt -1.23475 11.66781 16.70310 Infinity 0.817738 Infinity
24890
1018 pt 3.68078 8.66131 10.59625 -Infinity 1.192554 -Infinity
24891
1019 pt 3.34565 7.55120 12.08837 Infinity 1.118678 Infinity
24892
1020 pt 4.73101 10.13820 11.13184 Infinity 1.079563 Infinity
24893
1021 pt -1.30129 18.55494 10.05205 -Infinity 0.856124 -Infinity
24894
1022 pt -1.82913 17.95010 8.34131 Infinity 0.927482 Infinity
24895
1023 pt -2.56974 17.99795 11.33730 Infinity 0.835338 Infinity
24896
1024 pt -2.85350 14.51688 16.98703 -Infinity 0.752522 -Infinity
24897
1025 pt -3.94521 15.24942 15.62959 Infinity 0.773626 Infinity
24898
1026 pt -3.85799 14.34022 18.57790 Infinity 0.705807 Infinity
24899
1027 pt -3.24106 20.38191 17.67302 -Infinity 0.631635 -Infinity
24900
1028 pt -3.66433 19.21287 16.24991 Infinity 0.679161 Infinity
24901
1029 pt -4.67240 21.58458 17.94860 Infinity 0.603145 Infinity
24902
1030 pt -5.50454 17.17534 13.19698 -Infinity 0.786221 -Infinity
24903
1031 pt -6.44577 15.59296 12.77129 Infinity 0.829610 Infinity
24904
1032 pt -6.37052 18.65684 12.40560 Infinity 0.759347 Infinity
24905
1033 pt -0.02934 6.98845 7.01504 -Infinity 1.807033 -Infinity
24906
1034 pt 1.14906 7.71719 8.30010 Infinity 1.535335 Infinity
24907
1035 pt -1.77520 6.90802 7.73378 Infinity 1.672682 Infinity
24908
1036 pt 6.77371 11.90335 13.32149 -Infinity 0.881365 -Infinity
24909
1037 pt 5.80181 11.93368 14.94184 Infinity 0.835878 Infinity
24910
1038 pt 7.65529 13.55780 13.08346 Infinity 0.835851 Infinity
24911
1039 pt 5.41850 14.45457 19.72896 -Infinity 0.660630 -Infinity
24912
1040 pt 4.29087 15.23998 18.43179 Infinity 0.688605 Infinity
24913
1041 pt 7.21712 14.89357 19.35040 Infinity 0.650446 Infinity
24914
1042 pt 2.49851 10.30866 20.89695 -Infinity 0.689887 -Infinity
24915
1043 pt 3.64088 11.79063 20.63272 Infinity 0.678231 Infinity
24916
1044 pt 1.29431 10.17382 19.44686 Infinity 0.739046 Infinity
24917
1045 pt 2.09370 16.12595 16.25683 -Infinity 0.741964 -Infinity
24918
1046 pt 2.10747 16.98523 14.57382 Infinity 0.769966 Infinity
24919
1047 pt 0.33337 15.57738 16.67079 Infinity 0.745871 Infinity
24920
1048 pt 14.28634 10.91694 9.52729 -Infinity 0.816654 -Infinity
24921
1049 pt 13.02181 9.86392 10.45635 Infinity 0.849734 Infinity
24922
1050 pt 16.02888 10.46097 10.09888 Infinity 0.758900 Infinity
24923
1051 pt 14.29890 13.47436 16.69263 -Infinity 0.636256 -Infinity
24924
1052 pt 15.92984 13.60119 17.63867 Infinity 0.596125 Infinity
24925
1053 pt 14.47160 14.33509 15.01919 Infinity 0.654087 Infinity
24926
1054 pt 17.03841 19.26053 9.68541 -Infinity 0.619104 -Infinity
24927
1055 pt 18.47326 20.07913 10.60309 Infinity 0.577622 Infinity
24928
1056 pt 15.79859 20.58104 9.14674 Infinity 0.623849 Infinity
24929
1057 pt 9.26625 16.36011 13.02089 -Infinity 0.748448 -Infinity
24930
1058 pt 11.08687 16.06848 12.60695 Infinity 0.732749 Infinity
24931
1059 pt 8.92713 18.21742 13.10121 Infinity 0.712930 Infinity
24932
1060 pt 10.65501 21.04997 19.19412 -Infinity 0.551969 -Infinity
24933
1061 pt 10.86229 21.99379 17.57014 Infinity 0.560306 Infinity
24934
1062 pt 8.92988 21.37176 19.89515 Infinity 0.550378 Infinity
24935
1063 pt 15.69519 8.39278 16.71262 -Infinity 0.652084 -Infinity
24936
1064 pt 17.58458 8.39922 16.74757 Infinity 0.619009 Infinity
24937
1065 pt 15.05866 10.17180 16.68112 Infinity 0.652746 Infinity
24938
1066 pt 19.27245 9.98679 10.68189 -Infinity 0.670457 -Infinity
24939
1067 pt 19.84429 11.65576 11.35910 Infinity 0.635979 Infinity
24940
1068 pt 20.29169 8.60379 11.46899 Infinity 0.645462 Infinity
24941
1069 pt 14.24261 15.54850 11.91661 -Infinity 0.696007 -Infinity
24942
1070 pt 14.42127 13.96234 10.90505 Infinity 0.735707 Infinity
24943
1071 pt 15.37542 16.88248 11.20367 Infinity 0.665133 Infinity
24944
1072 pt 18.29873 13.25481 20.01467 -Infinity 0.535776 -Infinity
24945
1073 pt 18.56625 15.10157 20.31297 Infinity 0.518117 Infinity
24946
1074 pt 19.95322 12.34987 20.13633 Infinity 0.520400 Infinity
24947
1075 pt 20.88557 8.61600 16.89173 -Infinity 0.563680 -Infinity
24948
1076 pt 21.94351 7.99195 15.45563 Infinity 0.566895 Infinity
24949
1077 pt 21.96533 9.60164 18.08910 Infinity 0.530851 Infinity
24950
1078 pt 10.59270 15.77111 19.59745 -Infinity 0.605123 -Infinity
24951
1079 pt 10.73959 17.64399 19.39295 Infinity 0.586972 Infinity
24952
1080 pt 11.68370 14.90918 18.31766 Infinity 0.626198 Infinity
24953
1081 pt 10.49787 8.34353 11.76117 -Infinity 0.911433 -Infinity
24954
1082 pt 11.20180 7.01539 12.90640 Infinity 0.862341 Infinity
24955
1083 pt 9.29401 9.43499 12.72580 Infinity 0.893618 Infinity
24961
1 a.u. = 0.171524 10**(-8) dyn/esu
24963
Atom X Y Z Electric field (a.u.)
24965
------------------------------------------------------------------------------------------------
24966
------------------------------------------------------------------------
24968
------------------------------------------------------------------------
24969
quantum energy -114.253177356 (-.299972E+06 kjoule/mol)
24970
quantum energy adjusted -114.253177356 (-.299972E+06 kjoule/mol)
24971
quantum energy internal -114.356124918 (-.300242E+06 kjoule/mol)
24972
Bq-nuclear energy 0.102947561 (0.270289E+03 kjoule/mol)
24973
Bq-electron energy 0.000000000 (0.000000E+00 kjoule/mol)
24974
classical energy -7.460603204 (-.195878E+05 kjoule/mol)
24975
total qmmm energy -121.713780561 (-.319560E+06 kjoule/mol)
24976
------------------------------------------------------------------------
24978
reducing step 2.50000000000000005E-3 1.43128139437343822E-4 1.00000000000000008E-5
24979
Total number of active Bq charges 1083
24980
frozen_density,esp T T
24981
disabling frozen_density,esp due to active qm atoms
24987
ao basis = "ao basis"
24994
input vectors = /home/d3p975/codes/nwchem-svn/nwchem/QA/tests/tce_qmmm_ccsd_opt/perm/fmd.movecs
24995
output vectors = /home/d3p975/codes/nwchem-svn/nwchem/QA/tests/tce_qmmm_ccsd_opt/perm/fmd.movecs
25000
Summary of "ao basis" -> "ao basis" (cartesian)
25001
------------------------------------------------------------------------------
25002
Tag Description Shells Functions and Types
25003
---------------- ------------------------------ ------ ---------------------
25004
O cc-pVDZ 6 15 3s2p1d
25005
C cc-pVDZ 6 15 3s2p1d
25010
Forming initial guess at 901.6s
25013
Loading old vectors from job with title :
25017
Nuclear repulsion energy = 31.062737631517397
25018
Bq nuclear interaction energy = 0.10309944427566886
25020
Starting SCF solution at 901.6s
25024
----------------------------------------------
25025
Quadratically convergent ROHF
25027
Convergence threshold : 1.000E-10
25028
Maximum no. of iterations : 200
25029
Final Fock-matrix accuracy: 0.000E+00
25030
----------------------------------------------
25033
#quartets = 1.471E+04 #integrals = 3.756E+05 #direct = 0.0% #cached =100.0%
25036
Integral file = /scratch/fmd.aoints.00
25037
Record size in doubles = 65536 No. of integs per rec = 43688
25038
Max. records in memory = 2 Max. records in file = 225827
25039
No. of bits per label = 8 No. of bits per value = 64
25042
File balance: exchanges= 0 moved= 0 time= 0.0
25044
Nuclear repulsion energy = 31.062737631517397
25045
Bq nuclear interaction energy = 0.10309944427566886
25047
iter energy gnorm gmax time
25048
----- ------------------- --------- --------- --------
25049
1 -113.9148460976 2.28E-03 6.28E-04 803.6
25050
Nuclear repulsion energy = 31.062737631517397
25051
Bq nuclear interaction energy = 0.10309944427566886
25052
2 -113.9148464974 3.33E-06 1.39E-06 803.8
25053
Nuclear repulsion energy = 31.062737631517397
25054
Bq nuclear interaction energy = 0.10309944427566886
25055
3 -113.9148464974 8.83E-12 3.14E-12 804.2
25056
Nuclear repulsion energy = 31.062737631517397
25057
Bq nuclear interaction energy = 0.10309944427566886
25063
Total SCF energy = -113.914846497412
25064
One-electron energy = -217.248161165979
25065
Two-electron energy = 72.167477592774
25066
Nuclear repulsion energy = 31.165837075793
25068
Time for solution = 0.7s
25094
ROHF Final Molecular Orbital Analysis
25095
-------------------------------------
25097
Vector 2 Occ=2.000000E+00 E=-1.134261E+01
25098
MO Center= 2.3E-01, 2.2E+00, -5.9E-01, r^2= 2.7E-02
25099
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
25100
----- ------------ --------------- ----- ------------ ---------------
25103
Vector 3 Occ=2.000000E+00 E=-1.396312E+00
25104
MO Center= -5.8E-01, 1.8E+00, -5.6E-01, r^2= 5.0E-01
25105
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
25106
----- ------------ --------------- ----- ------------ ---------------
25107
2 0.409207 1 O s 3 0.388262 1 O s
25108
17 0.207548 2 C s 19 -0.164037 2 C px
25110
Vector 4 Occ=2.000000E+00 E=-8.541631E-01
25111
MO Center= 1.8E-01, 2.1E+00, -5.8E-01, r^2= 1.4E+00
25112
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
25113
----- ------------ --------------- ----- ------------ ---------------
25114
17 0.355195 2 C s 3 -0.260873 1 O s
25115
18 0.234486 2 C s 31 0.228332 3 H s
25116
36 0.225488 4 H s 2 -0.192146 1 O s
25119
Vector 5 Occ=2.000000E+00 E=-6.770913E-01
25120
MO Center= -2.1E-02, 2.0E+00, -5.8E-01, r^2= 1.3E+00
25121
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
25122
----- ------------ --------------- ----- ------------ ---------------
25123
21 0.368684 2 C pz 6 0.334255 1 O pz
25124
36 -0.235683 4 H s 31 0.232992 3 H s
25127
Vector 6 Occ=2.000000E+00 E=-6.505971E-01
25128
MO Center= -5.0E-01, 1.8E+00, -5.6E-01, r^2= 1.3E+00
25129
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
25130
----- ------------ --------------- ----- ------------ ---------------
25131
4 0.437042 1 O px 19 -0.350810 2 C px
25132
7 0.290009 1 O px 3 -0.255041 1 O s
25133
5 0.203475 1 O py 20 -0.170957 2 C py
25135
Vector 7 Occ=2.000000E+00 E=-5.269845E-01
25136
MO Center= -5.5E-01, 1.8E+00, -5.6E-01, r^2= 9.2E-01
25137
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
25138
----- ------------ --------------- ----- ------------ ---------------
25139
5 0.431503 1 O py 8 0.313002 1 O py
25140
20 0.262880 2 C py 4 -0.192814 1 O px
25141
6 0.182676 1 O pz 23 0.150490 2 C py
25143
Vector 8 Occ=2.000000E+00 E=-4.362352E-01
25144
MO Center= -2.6E-01, 1.9E+00, -5.7E-01, r^2= 1.6E+00
25145
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
25146
----- ------------ --------------- ----- ------------ ---------------
25147
6 0.486029 1 O pz 9 0.408181 1 O pz
25148
31 -0.255674 3 H s 36 0.255041 4 H s
25149
21 -0.216576 2 C pz 5 -0.164243 1 O py
25151
Vector 9 Occ=0.000000E+00 E= 1.470395E-01
25152
MO Center= 4.2E-02, 2.1E+00, -5.8E-01, r^2= 1.7E+00
25153
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
25154
----- ------------ --------------- ----- ------------ ---------------
25155
23 0.584727 2 C py 8 -0.417667 1 O py
25156
20 0.370397 2 C py 5 -0.300414 1 O py
25157
22 -0.276077 2 C px 24 0.250538 2 C pz
25158
7 0.195943 1 O px 9 -0.176044 1 O pz
25159
19 -0.173675 2 C px 21 0.157149 2 C pz
25161
Vector 10 Occ=0.000000E+00 E= 2.234408E-01
25162
MO Center= 9.4E-01, 2.4E+00, -4.5E-01, r^2= 4.0E+00
25163
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
25164
----- ------------ --------------- ----- ------------ ---------------
25165
18 1.913617 2 C s 32 -1.501382 3 H s
25166
37 -1.238499 4 H s 22 0.605992 2 C px
25167
23 0.257898 2 C py 19 0.166045 2 C px
25169
Vector 11 Occ=0.000000E+00 E= 2.912240E-01
25170
MO Center= 9.8E-01, 2.6E+00, -7.9E-01, r^2= 4.1E+00
25171
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
25172
----- ------------ --------------- ----- ------------ ---------------
25173
37 1.930505 4 H s 32 -1.749183 3 H s
25174
24 1.292969 2 C pz 23 -0.448953 2 C py
25175
21 0.340762 2 C pz 9 -0.273419 1 O pz
25178
Vector 12 Occ=0.000000E+00 E= 3.719486E-01
25179
MO Center= 1.1E-01, 2.1E+00, -5.9E-01, r^2= 3.0E+00
25180
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
25181
----- ------------ --------------- ----- ------------ ---------------
25182
3 1.815062 1 O s 22 1.556893 2 C px
25183
18 -1.385190 2 C s 23 0.739908 2 C py
25184
7 0.622121 1 O px 8 0.297562 1 O py
25186
Vector 13 Occ=0.000000E+00 E= 6.836418E-01
25187
MO Center= 6.7E-01, 2.5E+00, -5.6E-01, r^2= 1.7E+00
25188
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
25189
----- ------------ --------------- ----- ------------ ---------------
25190
18 1.049041 2 C s 31 -0.764771 3 H s
25191
36 -0.747966 4 H s 30 -0.297052 2 C dzz
25192
22 0.290388 2 C px 29 0.282515 2 C dyz
25193
23 0.278803 2 C py 17 -0.214496 2 C s
25194
32 0.197352 3 H s 16 -0.196068 2 C s
25196
Vector 14 Occ=0.000000E+00 E= 6.959866E-01
25197
MO Center= 3.0E-01, 2.1E+00, -6.3E-01, r^2= 1.9E+00
25198
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
25199
----- ------------ --------------- ----- ------------ ---------------
25200
23 0.892681 2 C py 20 -0.865937 2 C py
25201
22 -0.458458 2 C px 19 0.400953 2 C px
25202
21 -0.360959 2 C pz 24 0.357626 2 C pz
25204
Vector 15 Occ=0.000000E+00 E= 7.562992E-01
25205
MO Center= 5.1E-02, 2.1E+00, -5.9E-01, r^2= 2.3E+00
25206
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
25207
----- ------------ --------------- ----- ------------ ---------------
25208
24 1.931918 2 C pz 36 0.704113 4 H s
25209
31 -0.691767 3 H s 32 -0.624049 3 H s
25210
37 0.621794 4 H s 23 -0.620313 2 C py
25211
22 0.375942 2 C px 9 -0.325245 1 O pz
25212
6 -0.297119 1 O pz 21 -0.278738 2 C pz
25214
Vector 16 Occ=0.000000E+00 E= 8.353942E-01
25215
MO Center= 5.5E-01, 2.3E+00, -5.8E-01, r^2= 2.5E+00
25216
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
25217
----- ------------ --------------- ----- ------------ ---------------
25218
24 1.504621 2 C pz 32 -1.500004 3 H s
25219
37 1.451577 4 H s 21 -0.763588 2 C pz
25220
27 0.524405 2 C dxz 23 -0.480481 2 C py
25221
36 -0.365276 4 H s 31 0.352542 3 H s
25222
22 0.324794 2 C px 29 0.265561 2 C dyz
25224
Vector 17 Occ=0.000000E+00 E= 8.944774E-01
25225
MO Center= -2.2E-02, 2.0E+00, -5.8E-01, r^2= 1.5E+00
25226
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
25227
----- ------------ --------------- ----- ------------ ---------------
25228
22 0.953502 2 C px 18 0.920985 2 C s
25229
19 -0.904631 2 C px 37 -0.533244 4 H s
25230
23 0.477654 2 C py 32 -0.471803 3 H s
25231
20 -0.445042 2 C py 7 -0.422335 1 O px
25232
26 -0.308039 2 C dxy 4 -0.266372 1 O px
25234
Vector 18 Occ=0.000000E+00 E= 9.597877E-01
25235
MO Center= 5.7E-01, 2.3E+00, -6.3E-01, r^2= 2.7E+00
25236
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
25237
----- ------------ --------------- ----- ------------ ---------------
25238
18 4.070898 2 C s 17 -1.677134 2 C s
25239
37 -1.314372 4 H s 32 -1.255480 3 H s
25240
16 -0.786737 2 C s 22 0.477070 2 C px
25241
3 -0.457661 1 O s 28 -0.288537 2 C dyy
25242
30 -0.241737 2 C dzz 23 0.236122 2 C py
25247
x = -0.59799755 y = 3.58525735 z = -1.07139873
25249
moments of inertia (a.u.)
25251
15.132421515207 -18.070324023065 0.484953538993
25252
-18.070324023065 44.095204890954 2.589121042786
25253
0.484953538993 2.589121042786 47.925687600307
25255
Mulliken analysis of the total density
25256
--------------------------------------
25258
Atom Charge Shell Charges
25259
----------- ------ -------------------------------------------------------
25260
1 O 8 8.47 2.00 0.83 0.92 2.79 1.90 0.02
25261
2 C 6 5.69 2.00 0.70 0.44 1.83 0.59 0.12
25262
3 H 1 0.93 0.75 0.15 0.03
25263
4 H 1 0.92 0.75 0.14 0.03
25265
Multipole analysis of the density wrt the origin
25266
------------------------------------------------
25268
L x y z total open nuclear
25269
- - - - ----- ---- -------
25270
0 0 0 0 0.000000 0.000000 16.000000
25272
1 1 0 0 1.398925 0.000000 -7.562416
25273
1 0 1 0 0.651945 0.000000 58.334040
25274
1 0 0 1 -0.074648 0.000000 -17.225219
25276
2 2 0 0 -10.033808 0.000000 26.721491
25277
2 1 1 0 4.666552 0.000000 -16.869407
25278
2 1 0 1 -1.466374 0.000000 8.289035
25279
2 0 2 0 -3.687691 0.000000 218.603555
25280
2 0 1 1 -1.061904 0.000000 -65.067085
25281
2 0 0 2 -8.051892 0.000000 24.124999
25283
Nuclear repulsion energy = 31.062737631517397
25284
Bq nuclear interaction energy = 0.10309944427566886
25286
Parallel integral file used 27 records with 0 large values
25288
NWChem Extensible Many-Electron Theory Module
25289
---------------------------------------------
25291
======================================================
25292
This portion of the program was automatically
25293
generated by a Tensor Contraction Engine (TCE).
25294
The development of this portion of the program
25295
and TCE was supported by US Department of Energy,
25296
Office of Science, Office of Basic Energy Science.
25297
TCE is a product of Battelle and PNNL.
25298
Please cite: S.Hirata, J.Phys.Chem.A 107, 9887 (2003).
25299
======================================================
25301
General Information
25302
-------------------
25303
Number of processors : 27
25304
Wavefunction type : Restricted Hartree-Fock
25305
No. of electrons : 16
25306
Alpha electrons : 8
25308
No. of orbitals : 80
25309
Alpha orbitals : 40
25311
Alpha frozen cores : 0
25312
Beta frozen cores : 0
25313
Alpha frozen virtuals : 0
25314
Beta frozen virtuals : 0
25315
Spin multiplicity : singlet
25316
Number of AO functions : 40
25317
Number of AO shells : 18
25318
Use of symmetry is : off
25319
Symmetry adaption is : off
25320
Schwarz screening : 0.00E+00
25322
Correlation Information
25323
-----------------------
25324
Calculation type : Coupled-cluster singles & doubles
25325
Perturbative correction : none
25326
Max iterations : 200
25327
Residual threshold : 0.10E-05
25328
T(0) DIIS level shift : 0.00E+00
25329
L(0) DIIS level shift : 0.00E+00
25330
T(1) DIIS level shift : 0.00E+00
25331
L(1) DIIS level shift : 0.00E+00
25332
T(R) DIIS level shift : 0.00E+00
25333
T(I) DIIS level shift : 0.00E+00
25334
CC-T/L Amplitude update : 5-th order DIIS
25335
I/O scheme : Global Array Library
25339
Available GA space size is 2654059007 doubles
25340
Available MA space size is 49130121 doubles
25342
Maximum block size supplied by input
25343
Maximum block size 12 doubles
25347
Block Spin Irrep Size Offset Alpha
25348
-------------------------------------------------
25349
1 alpha a 8 doubles 0 1
25350
2 beta a 8 doubles 8 1
25351
3 alpha a 10 doubles 16 3
25352
4 alpha a 11 doubles 26 4
25353
5 alpha a 11 doubles 37 5
25354
6 beta a 10 doubles 48 3
25355
7 beta a 11 doubles 58 4
25356
8 beta a 11 doubles 69 5
25358
Global array virtual files algorithm will be used
25360
Parallel file system coherency ......... OK
25362
#quartets = 1.471E+04 #integrals = 3.756E+05 #direct = 0.0% #cached =100.0%
25365
Integral file = /scratch/fmd.aoints.00
25366
Record size in doubles = 65536 No. of integs per rec = 43688
25367
Max. records in memory = 2 Max. records in file = 225827
25368
No. of bits per label = 8 No. of bits per value = 64
25371
File balance: exchanges= 0 moved= 0 time= 0.0
25374
Fock matrix recomputed
25375
1-e file size = 1600
25376
1-e file name = /scratch/fmd.f1
25377
1-e file handle = -993
25378
Cpu & wall time / sec 0.1 0.1
25380
2-e (intermediate) file size = 5769600
25381
2-e (intermediate) file name = /scratch/fmd.v2i
25382
Cpu & wall time / sec 0.1 0.1
25384
2-e file size = 3566009
25385
2-e file name = /scratch/fmd.v2
25386
2-e file handle = -991
25387
Cpu & wall time / sec 0.1 0.1
25390
t1 file name = /scratch/fmd.t1
25391
t1 file handle = -992
25392
Cpu & wall time / sec 0.0
25393
before tce_guess_t2
25396
t2 file size = 109248
25397
t2 file name = /scratch/fmd.t2
25398
t2 file handle = -989
25399
Cpu & wall time / sec 0.0
25402
-----------------------------------------------------------------
25403
Iter Residuum Correlation Cpu Wall V2*C2
25404
-----------------------------------------------------------------
25405
1 0.1516856216091 -0.3226949246266 0.2 0.2 0.0
25406
2 0.0552479722035 -0.3255845129153 0.2 0.2 0.0
25407
3 0.0173589082491 -0.3360370494587 0.2 0.2 0.0
25408
4 0.0105315156132 -0.3365746114061 0.2 0.2 0.0
25409
5 0.0044689955712 -0.3378063335111 0.2 0.2 0.0
25410
MICROCYCLE DIIS UPDATE: 5 5
25411
6 0.0016748075820 -0.3382321899852 0.1 0.2 0.0
25412
7 0.0007050202687 -0.3383417998369 0.2 0.2 0.0
25413
8 0.0003957998910 -0.3383455226470 0.2 0.2 0.0
25414
9 0.0002207184200 -0.3383498872933 0.2 0.2 0.0
25415
10 0.0001321805809 -0.3383550041552 0.2 0.2 0.0
25416
MICROCYCLE DIIS UPDATE: 10 5
25417
11 0.0000238797358 -0.3383615949132 0.2 0.2 0.0
25418
12 0.0000133674505 -0.3383621495313 0.2 0.2 0.0
25419
13 0.0000091414197 -0.3383631586192 0.2 0.2 0.0
25420
14 0.0000069314462 -0.3383632114966 0.2 0.2 0.0
25421
15 0.0000053287598 -0.3383633324608 0.2 0.2 0.0
25422
MICROCYCLE DIIS UPDATE: 15 5
25423
16 0.0000011617151 -0.3383633237352 0.2 0.2 0.0
25424
17 0.0000005950853 -0.3383634140492 0.2 0.2 0.0
25425
-----------------------------------------------------------------
25426
Iterations converged
25427
CCSD correlation energy / hartree = -0.338363414049214
25428
CCSD total energy / hartree = -114.253209911461227
25430
Singles contributions
25432
Doubles contributions
25433
9a (alpha) 9a (beta ) --- 7a (alpha) 7a (beta ) -0.1172459212
25435
CCSD Lambda iterations
25436
--------------------------------------
25437
Iter Residuum Cpu Wall
25438
--------------------------------------
25439
1 1.6755854600109 0.4 0.6
25440
2 0.0293036401610 0.5 0.6
25441
3 0.0031764028751 0.4 0.6
25442
4 0.0003669136760 0.4 0.6
25443
5 0.0001065598615 0.4 0.6
25444
MICROCYCLE DIIS UPDATE: 5 5
25445
6 0.0000238937705 0.5 0.6
25446
7 0.0000046110389 0.5 0.6
25447
8 0.0000014810725 0.5 0.6
25448
9 0.0000004800619 0.5 0.6
25449
--------------------------------------
25450
Iterations converged
25452
MO Z-VEC iterations
25453
--------------------------------------
25454
Iter Residuum Cpu Wall
25455
--------------------------------------
25456
1 0.0234773634412 0.0 0.0
25457
2 0.0076502640852 0.0 0.0
25458
3 0.0030557641051 0.0 0.0
25459
4 0.0027618454743 0.0 0.0
25460
5 0.0017196874108 0.0 0.0
25461
MICROCYCLE DIIS UPDATE: 5 5
25462
6 0.0003191083616 0.0 0.0
25463
7 0.0001721535563 0.0 0.0
25464
8 0.0000810242297 0.0 0.0
25465
9 0.0000689060930 0.0 0.0
25466
10 0.0000364859305 0.0 0.0
25467
MICROCYCLE DIIS UPDATE: 10 5
25468
11 0.0000046299118 0.0 0.0
25469
12 0.0000023038019 0.0 0.0
25470
13 0.0000011555148 0.0 0.0
25471
14 0.0000009720546 0.0 0.0
25472
--------------------------------------
25473
Iterations converged
25475
NWChem Gradients Module
25476
-----------------------
25480
wavefunction = TCE RHF CCSD
25484
ccsd ENERGY GRADIENTS
25486
atom coordinates gradient
25488
1 O -1.630919 3.087303 -1.028170 0.014172 0.002431 0.002490
25489
2 C 0.438818 4.084567 -1.114976 -0.001174 -0.000537 0.000443
25490
3 H 1.757612 4.021996 0.509457 -0.000379 0.000066 -0.000245
25491
4 H 1.094415 5.106217 -2.819461 -0.000933 0.000384 0.000364
25493
----------------------------------------
25494
| Time | 1-e(secs) | 2-e(secs) |
25495
----------------------------------------
25496
| CPU | 0.08 | 0.13 |
25497
----------------------------------------
25498
| WALL | 0.15 | 0.14 |
25499
----------------------------------------
25501
Parallel integral file used 27 records with 0 large values
25503
Bq nuclear interaction energy = 0.10309944427566886
25504
Calculating forces on classical charges
25505
---------------------------------------
25506
Total number of charges 1083
25507
NWChem Property Module
25508
----------------------
25512
---------------------------------------------
25513
Electrostatic potential/diamagnetic shielding
25514
---------------------------------------------
25516
1 a.u. = 9.07618 esu/cm ( or statvolts )
25517
Point X Y Z Total Potential(a.u.) Diamagnetic shielding(a.u.) External Bq potential
25518
1 pt -10.84723 -20.95208 -11.78149 -Infinity 0.557450 -Infinity
25519
2 pt -9.86953 -19.74679 -10.70332 Infinity 0.594234 Infinity
25520
3 pt -12.23975 -21.72297 -10.76282 Infinity 0.541868 Infinity
25521
4 pt -13.12434 -10.66222 -18.89847 -Infinity 0.613881 -Infinity
25522
5 pt -13.17484 -12.55123 -18.91050 Infinity 0.588760 Infinity
25523
6 pt -11.56406 -10.06711 -19.78301 Infinity 0.623505 Infinity
25524
7 pt -16.79699 -8.14740 -16.53411 -Infinity 0.632344 -Infinity
25525
8 pt -17.27885 -9.23445 -15.06537 Infinity 0.632775 Infinity
25526
9 pt -15.30719 -8.90380 -17.41697 Infinity 0.632073 Infinity
25527
10 pt -17.30899 -10.90330 -12.00969 -Infinity 0.648101 -Infinity
25528
11 pt -18.50875 -9.94796 -10.90562 Infinity 0.652610 Infinity
25529
12 pt -16.21980 -12.01828 -10.94125 Infinity 0.661194 Infinity
25530
13 pt -12.84228 -7.70715 -11.71753 -Infinity 0.808871 -Infinity
25531
14 pt -11.59319 -8.74070 -10.74666 Infinity 0.835240 Infinity
25532
15 pt -14.34453 -8.77083 -12.14522 Infinity 0.742114 Infinity
25533
16 pt -16.85207 -17.68012 -11.06738 -Infinity 0.559560 -Infinity
25534
17 pt -15.76933 -16.30361 -10.35748 Infinity 0.599180 Infinity
25535
18 pt -18.60010 -17.53384 -10.36447 Infinity 0.546351 Infinity
25536
19 pt -7.79409 -18.14788 -8.64780 -Infinity 0.662503 -Infinity
25537
20 pt -7.25182 -19.87410 -8.10268 Infinity 0.629516 Infinity
25538
21 pt -7.82011 -16.99306 -7.15222 Infinity 0.705641 Infinity
25539
22 pt -14.30793 -19.61047 -15.39045 -Infinity 0.523826 -Infinity
25540
23 pt -12.76610 -20.03959 -14.38563 Infinity 0.537705 Infinity
25541
24 pt -15.61430 -18.85790 -14.25111 Infinity 0.531974 Infinity
25542
25 pt -9.64834 -10.74056 -8.91993 -Infinity 0.855929 -Infinity
25543
26 pt -9.72123 -10.58859 -7.03774 Infinity 0.894215 Infinity
25544
27 pt -7.84571 -10.70878 -9.48616 Infinity 0.882557 Infinity
25545
28 pt -14.24335 -13.62735 -8.86930 -Infinity 0.686022 -Infinity
25546
29 pt -14.63666 -13.92472 -7.04503 Infinity 0.688601 Infinity
25547
30 pt -12.50958 -12.89285 -9.02936 Infinity 0.732243 Infinity
25548
31 pt 4.17232 -20.91808 -8.89509 -Infinity 0.610426 -Infinity
25549
32 pt 5.42294 -22.28335 -8.51688 Infinity 0.579035 Infinity
25550
33 pt 3.29177 -21.30218 -10.52241 Infinity 0.593603 Infinity
25551
34 pt 4.77662 -17.49374 -15.08387 -Infinity 0.617177 -Infinity
25552
35 pt 6.09921 -17.11456 -13.78847 Infinity 0.633687 Infinity
25553
36 pt 4.17899 -19.27403 -14.87300 Infinity 0.588783 Infinity
25554
37 pt -4.46368 -10.02340 -10.08083 -Infinity 0.951339 -Infinity
25555
38 pt -3.35377 -11.34455 -10.85137 Infinity 0.883447 Infinity
25556
39 pt -3.47825 -9.03698 -8.80530 Infinity 1.057378 Infinity
25557
40 pt -1.01909 -20.36332 -12.13304 -Infinity 0.605326 -Infinity
25558
41 pt -1.27337 -21.50242 -13.61926 Infinity 0.569271 Infinity
25559
42 pt -1.11257 -21.37482 -10.53955 Infinity 0.598156 Infinity
25560
43 pt -0.08710 -17.77603 -20.87780 -Infinity 0.548327 -Infinity
25561
44 pt -0.21102 -18.93205 -19.38806 Infinity 0.550312 Infinity
25562
45 pt 0.74838 -18.68106 -22.31096 Infinity 0.518740 Infinity
25563
46 pt 4.93316 -8.49330 -13.92386 -Infinity 0.863026 -Infinity
25564
47 pt 3.82294 -9.85487 -14.61998 Infinity 0.814449 Infinity
25565
48 pt 4.25572 -6.80449 -14.43383 Infinity 0.905829 Infinity
25566
49 pt 7.03826 -16.37434 -19.51718 -Infinity 0.565967 -Infinity
25567
50 pt 6.72084 -17.79080 -20.72711 Infinity 0.533573 Infinity
25568
51 pt 6.03642 -16.65551 -17.93974 Infinity 0.587925 Infinity
25569
52 pt -4.71589 -16.93543 -12.62987 -Infinity 0.667930 -Infinity
25570
53 pt -3.37889 -18.26962 -12.57117 Infinity 0.642594 Infinity
25571
54 pt -5.96764 -17.23528 -11.24630 Infinity 0.671428 Infinity
25572
55 pt -4.53576 -11.35453 -20.77145 -Infinity 0.637963 -Infinity
25573
56 pt -4.98153 -12.25796 -19.17265 Infinity 0.653167 Infinity
25574
57 pt -3.82524 -12.58687 -22.01546 Infinity 0.599239 Infinity
25575
58 pt -0.95777 -13.55462 -11.75495 -Infinity 0.789885 -Infinity
25576
59 pt 0.47152 -14.29956 -10.76841 Infinity 0.783134 Infinity
25577
60 pt -2.27347 -14.87723 -12.05609 Infinity 0.740736 Infinity
25578
61 pt 2.07898 -12.46039 -15.73867 -Infinity 0.728697 -Infinity
25579
62 pt 2.94448 -14.11613 -16.02239 Infinity 0.681107 Infinity
25580
63 pt 0.77922 -12.65244 -14.38043 Infinity 0.758433 Infinity
25581
64 pt -6.00161 -13.76499 -16.51296 -Infinity 0.669729 -Infinity
25582
65 pt -7.05953 -12.50415 -15.58444 Infinity 0.706350 Infinity
25583
66 pt -5.38351 -15.08098 -15.30583 Infinity 0.666619 Infinity
25584
67 pt 7.22250 -11.46518 -21.36665 -Infinity 0.604134 -Infinity
25585
68 pt 7.28988 -13.27503 -20.82724 Infinity 0.588659 Infinity
25586
69 pt 5.42111 -10.94083 -21.59271 Infinity 0.617985 Infinity
25587
70 pt 3.25645 -15.52295 -9.20440 -Infinity 0.755414 -Infinity
25588
71 pt 3.17872 -17.38272 -8.87840 Infinity 0.703403 Infinity
25589
72 pt 4.99111 -15.05733 -9.79195 Infinity 0.748217 Infinity
25590
73 pt 0.15308 -9.35996 -19.53030 -Infinity 0.707776 -Infinity
25591
74 pt -1.61591 -9.88579 -19.93682 Infinity 0.688152 Infinity
25592
75 pt 0.85432 -10.48967 -18.18751 Infinity 0.718852 Infinity
25593
76 pt -0.87106 -7.57184 -7.14324 -Infinity 1.252139 -Infinity
25594
77 pt 0.40401 -6.36169 -7.83663 Infinity 1.316191 Infinity
25595
78 pt 0.00401 -9.13610 -6.54458 Infinity 1.148172 Infinity
25596
79 pt 8.90601 -16.16124 -12.07935 -Infinity 0.651229 -Infinity
25597
80 pt 10.06344 -16.80112 -13.42915 Infinity 0.611734 Infinity
25598
81 pt 9.41687 -16.89019 -10.41240 Infinity 0.648350 Infinity
25599
82 pt 15.56925 -12.16174 -16.15768 -Infinity 0.589075 -Infinity
25600
83 pt 13.87591 -11.50911 -15.63069 Infinity 0.627418 Infinity
25601
84 pt 15.38857 -13.18072 -17.73885 Infinity 0.560315 Infinity
25602
85 pt 10.46898 -9.04918 -18.18009 -Infinity 0.666635 -Infinity
25603
86 pt 10.20628 -9.86868 -16.49769 Infinity 0.690367 Infinity
25604
87 pt 9.37495 -9.89184 -19.47008 Infinity 0.642017 Infinity
25605
88 pt 11.63257 -16.92692 -16.83802 -Infinity 0.558471 -Infinity
25606
89 pt 12.95384 -16.38645 -18.07624 Infinity 0.541417 Infinity
25607
90 pt 9.94404 -16.94840 -17.68625 Infinity 0.561877 Infinity
25608
91 pt 9.45737 -11.17968 -13.70334 -Infinity 0.729979 -Infinity
25609
92 pt 7.78457 -10.30611 -13.60496 Infinity 0.778667 Infinity
25610
93 pt 9.29336 -12.93519 -13.02337 Infinity 0.704672 Infinity
25611
94 pt 14.57353 -7.01191 -9.89828 -Infinity 0.780263 -Infinity
25612
95 pt 13.92517 -8.75874 -9.58316 Infinity 0.765966 Infinity
25613
96 pt 13.16652 -5.92158 -10.53277 Infinity 0.832280 Infinity
25614
97 pt 14.52069 -14.46189 -8.29746 -Infinity 0.649014 -Infinity
25615
98 pt 14.24143 -13.15410 -6.96226 Infinity 0.690919 Infinity
25616
99 pt 13.17911 -15.78696 -8.17317 Infinity 0.644054 Infinity
25617
100 pt 15.52351 -19.18550 -13.76146 -Infinity 0.521582 -Infinity
25618
101 pt 16.42370 -17.59039 -13.29631 Infinity 0.536661 Infinity
25619
102 pt 14.11819 -18.79000 -14.96134 Infinity 0.529851 Infinity
25620
103 pt 17.80979 -14.69127 -12.22446 -Infinity 0.566401 -Infinity
25621
104 pt 16.67758 -14.52177 -10.72099 Infinity 0.596153 Infinity
25622
105 pt 17.13729 -13.63880 -13.64260 Infinity 0.576620 Infinity
25623
106 pt -17.30088 3.37273 -20.58379 -Infinity 0.622214 -Infinity
25624
107 pt -16.62415 2.25015 -19.22257 Infinity 0.659037 Infinity
25625
108 pt -16.62167 2.81552 -22.25689 Infinity 0.601414 Infinity
25626
109 pt -7.95546 -4.07308 -19.46214 -Infinity 0.752028 -Infinity
25627
110 pt -6.18604 -3.60039 -18.99653 Infinity 0.794191 Infinity
25628
111 pt -9.00309 -4.21660 -17.89595 Infinity 0.784411 Infinity
25629
112 pt -10.24997 -4.43801 -14.87328 -Infinity 0.856396 -Infinity
25630
113 pt -11.59766 -5.53858 -14.13602 Infinity 0.825395 Infinity
25631
114 pt -8.61823 -4.74927 -13.97239 Infinity 0.921767 Infinity
25632
115 pt -12.87216 5.50573 -13.37256 -Infinity 0.913710 -Infinity
25633
116 pt -11.97013 3.85525 -13.55513 Infinity 0.945876 Infinity
25634
117 pt -14.43301 5.26042 -12.33591 Infinity 0.891797 Infinity
25635
118 pt -13.27301 -3.61430 -8.55498 -Infinity 0.977176 -Infinity
25636
119 pt -13.17245 -4.99408 -9.84230 Infinity 0.910810 Infinity
25637
120 pt -11.68926 -2.58476 -8.60855 Infinity 1.084849 Infinity
25638
121 pt -15.46697 0.10534 -17.21923 -Infinity 0.719133 -Infinity
25639
122 pt -14.68209 -0.01146 -15.50418 Infinity 0.780291 Infinity
25640
123 pt -16.81971 -1.20380 -17.38452 Infinity 0.680238 Infinity
25641
124 pt -8.46726 -1.50309 -9.49302 -Infinity 1.269341 -Infinity
25642
125 pt -7.00353 -0.32040 -9.32035 Infinity 1.432845 Infinity
25643
126 pt -7.86071 -3.16487 -10.15760 Infinity 1.188243 Infinity
25644
127 pt -10.80317 2.83239 -18.58696 -Infinity 0.787408 -Infinity
25645
128 pt -12.46317 1.98572 -18.90101 Infinity 0.743908 Infinity
25646
129 pt -10.22100 2.44781 -16.83076 Infinity 0.863267 Infinity
25647
130 pt -18.93770 -4.42329 -13.32448 -Infinity 0.681560 -Infinity
25648
131 pt -20.71118 -4.99153 -13.00366 Infinity 0.642070 Infinity
25649
132 pt -18.12737 -5.56876 -14.59032 Infinity 0.667525 Infinity
25650
133 pt -21.03741 2.75883 -16.81041 -Infinity 0.619380 -Infinity
25651
134 pt -20.11611 3.10195 -18.42427 Infinity 0.611950 Infinity
25652
135 pt -21.15686 0.89288 -16.53652 Infinity 0.618079 Infinity
25653
136 pt -19.60617 -0.61449 -9.83694 -Infinity 0.749411 -Infinity
25654
137 pt -21.45542 -0.39889 -10.16080 Infinity 0.692559 Infinity
25655
138 pt -18.91455 -1.94313 -10.98909 Infinity 0.742340 Infinity
25656
139 pt -19.79803 -2.65694 -19.03409 -Infinity 0.591577 -Infinity
25657
140 pt -18.76456 -3.87745 -20.04076 Infinity 0.585444 Infinity
25658
141 pt -21.29640 -3.54918 -18.30617 Infinity 0.573798 Infinity
25659
142 pt -17.01944 3.90998 -10.52095 -Infinity 0.843909 -Infinity
25660
143 pt -18.20275 5.00406 -11.50777 Infinity 0.779310 Infinity
25661
144 pt -17.85585 2.25868 -10.14054 Infinity 0.818592 Infinity
25662
145 pt -10.73112 0.64354 -13.77880 -Infinity 0.967248 -Infinity
25663
146 pt -10.66490 -1.09408 -14.51863 Infinity 0.916207 Infinity
25664
147 pt -10.09645 0.59630 -11.99946 Infinity 1.080827 Infinity
25665
148 pt -19.96421 6.69706 -13.78260 -Infinity 0.683861 -Infinity
25666
149 pt -21.04511 8.20048 -14.16001 Infinity 0.646774 Infinity
25667
150 pt -20.57727 5.21307 -14.77908 Infinity 0.658266 Infinity
25668
151 pt 4.27642 3.52693 -17.96848 -Infinity 0.909321 -Infinity
25669
152 pt 4.91575 3.51724 -19.74675 Infinity 0.821404 Infinity
25670
153 pt 3.52390 5.21574 -17.57774 Infinity 0.935865 Infinity
25671
154 pt -6.17638 -5.55573 -12.02477 -Infinity 1.041887 -Infinity
25672
155 pt -5.82558 -7.30898 -11.41311 Infinity 1.003481 Infinity
25673
156 pt -4.59380 -4.52708 -11.93323 Infinity 1.128171 Infinity
25674
157 pt -4.11777 1.33635 -9.68471 -Infinity 1.661433 -Infinity
25675
158 pt -3.55472 2.67913 -10.88928 Infinity 1.544973 Infinity
25676
159 pt -4.23004 2.05872 -7.94211 Infinity 2.006958 Infinity
25677
160 pt 3.59836 0.72643 -11.24342 -Infinity 1.402082 -Infinity
25678
161 pt 5.14809 1.53397 -11.96263 Infinity 1.280172 Infinity
25679
162 pt 2.27552 2.04489 -10.95564 Infinity 1.530631 Infinity
25680
163 pt -2.21719 4.79678 -13.03884 -Infinity 1.312990 -Infinity
25681
164 pt -3.42342 6.18761 -13.46507 Infinity 1.228789 Infinity
25682
165 pt -0.66164 5.52897 -12.25448 Infinity 1.404789 Infinity
25683
166 pt 3.82597 -3.32825 -15.07553 -Infinity 0.982780 -Infinity
25684
167 pt 2.42126 -2.87036 -16.25374 Infinity 0.951249 Infinity
25685
168 pt 3.92598 -2.05099 -13.68641 Infinity 1.096851 Infinity
25686
169 pt -0.09192 1.19599 -16.39151 -Infinity 1.028462 -Infinity
25687
170 pt 1.54222 1.93467 -16.98734 Infinity 0.989079 Infinity
25688
171 pt -0.97583 2.43805 -15.27480 Infinity 1.118850 Infinity
25689
172 pt -1.95644 -2.89936 -11.69131 -Infinity 1.271373 -Infinity
25690
173 pt -0.31645 -3.32069 -10.85227 Infinity 1.327283 Infinity
25691
174 pt -2.61631 -1.26773 -11.00326 Infinity 1.415411 Infinity
25692
175 pt 2.61901 -3.73649 -8.93674 -Infinity 1.415077 -Infinity
25693
176 pt 3.02705 -2.04167 -9.66623 Infinity 1.458100 Infinity
25694
177 pt 4.17403 -4.81022 -8.92709 Infinity 1.277138 Infinity
25695
178 pt -3.13456 -2.75177 -17.46250 -Infinity 0.898655 -Infinity
25696
179 pt -2.18431 -1.14367 -17.17595 Infinity 0.946292 Infinity
25697
180 pt -3.14015 -3.77321 -15.87262 Infinity 0.953730 Infinity
25698
181 pt -2.37333 5.77744 -19.79276 -Infinity 0.843799 -Infinity
25699
182 pt -0.86922 6.26143 -18.75619 Infinity 0.893233 Infinity
25700
183 pt -3.65336 7.16638 -19.73414 Infinity 0.830018 Infinity
25701
184 pt 17.61825 2.77546 -20.84225 -Infinity 0.595781 -Infinity
25702
185 pt 17.37526 1.75655 -19.26940 Infinity 0.624922 Infinity
25703
186 pt 18.63192 1.78020 -22.08845 Infinity 0.561254 Infinity
25704
187 pt 8.87644 -4.30941 -16.48299 -Infinity 0.809714 -Infinity
25705
188 pt 9.17518 -6.03987 -17.18107 Infinity 0.755301 Infinity
25706
189 pt 7.02396 -4.04754 -16.21690 Infinity 0.859057 Infinity
25707
190 pt 18.69806 -5.45639 -12.56867 -Infinity 0.661411 -Infinity
25708
191 pt 18.43452 -5.72206 -14.42098 Infinity 0.639404 Infinity
25709
192 pt 17.29827 -6.28511 -11.60697 Infinity 0.696267 Infinity
25710
193 pt 6.85501 -6.63346 -9.49674 -Infinity 1.048836 -Infinity
25711
194 pt 8.36015 -5.61879 -10.02216 Infinity 1.019354 Infinity
25712
195 pt 6.14764 -7.53679 -10.99830 Infinity 0.974325 Infinity
25713
196 pt 7.28605 3.21662 -13.81090 -Infinity 1.068966 -Infinity
25714
197 pt 7.94022 4.98916 -13.77610 Infinity 1.043532 Infinity
25715
198 pt 6.28507 2.94439 -15.39046 Infinity 1.006492 Infinity
25716
199 pt 18.09294 -0.64839 -10.51918 -Infinity 0.750697 -Infinity
25717
200 pt 16.96805 0.45213 -11.56539 Infinity 0.774979 Infinity
25718
201 pt 18.10766 -2.39724 -11.23497 Infinity 0.724859 Infinity
25719
202 pt 16.49239 -0.69585 -17.13456 -Infinity 0.671961 -Infinity
25720
203 pt 14.82798 -0.98989 -17.97974 Infinity 0.686142 Infinity
25721
204 pt 17.49220 -2.29942 -17.13487 Infinity 0.643309 Infinity
25722
205 pt 18.34760 3.21853 -7.00220 -Infinity 0.809605 -Infinity
25723
206 pt 18.15796 1.76322 -8.19265 Infinity 0.797337 Infinity
25724
207 pt 17.55070 4.75767 -7.75526 Infinity 0.830096 Infinity
25725
208 pt 14.37972 -6.41971 -20.43670 -Infinity 0.604919 -Infinity
25726
209 pt 13.11039 -7.60421 -19.69049 Infinity 0.622629 Infinity
25727
210 pt 13.63113 -4.68901 -20.56067 Infinity 0.627202 Infinity
25728
211 pt 18.69240 -5.53019 -17.80981 -Infinity 0.590374 -Infinity
25729
212 pt 19.60329 -7.17958 -17.66542 Infinity 0.566194 Infinity
25730
213 pt 17.14993 -5.75271 -18.87862 Infinity 0.596798 Infinity
25731
214 pt 15.32870 2.62860 -13.27353 -Infinity 0.798881 -Infinity
25732
215 pt 15.60765 4.48032 -13.52732 Infinity 0.784706 Infinity
25733
216 pt 15.75372 1.70255 -14.86502 Infinity 0.746700 Infinity
25734
217 pt 12.13372 -1.76041 -19.54098 -Infinity 0.693980 -Infinity
25735
218 pt 11.31593 -0.49590 -20.68259 Infinity 0.686683 Infinity
25736
219 pt 10.83334 -2.50460 -18.38934 Infinity 0.739750 Infinity
25737
220 pt 10.79348 -4.03850 -11.69169 -Infinity 0.922132 -Infinity
25738
221 pt 10.24393 -4.17549 -13.49455 Infinity 0.877233 Infinity
25739
222 pt 10.91581 -2.21634 -11.20609 Infinity 0.975871 Infinity
25740
223 pt 10.94453 1.05124 -10.90196 -Infinity 1.043393 -Infinity
25741
224 pt 12.62007 1.70128 -11.48599 Infinity 0.947696 Infinity
25742
225 pt 9.57065 1.81774 -11.94885 Infinity 1.069248 Infinity
25743
226 pt -20.51213 13.56484 -11.32195 -Infinity 0.651632 -Infinity
25744
227 pt -21.63188 15.03296 -10.91964 Infinity 0.617097 Infinity
25745
228 pt -21.18442 12.65470 -12.83547 Infinity 0.629479 Infinity
25746
229 pt -10.46525 8.63278 -8.09919 -Infinity 1.215497 -Infinity
25747
230 pt -11.63956 7.17420 -7.84504 Infinity 1.188171 Infinity
25748
231 pt -11.46416 10.18184 -8.51590 Infinity 1.082986 Infinity
25749
232 pt -8.15587 14.57238 -12.86742 -Infinity 0.896658 -Infinity
25750
233 pt -9.14653 13.06957 -13.44295 Infinity 0.897862 Infinity
25751
234 pt -7.96232 14.51857 -10.98840 Infinity 0.967290 Infinity
25752
235 pt -17.59379 8.01629 -18.38067 -Infinity 0.648034 -Infinity
25753
236 pt -17.41509 6.38181 -19.31211 Infinity 0.640082 Infinity
25754
237 pt -18.07828 7.67070 -16.58710 Infinity 0.673510 Infinity
25755
238 pt -10.47257 10.04329 -14.53195 -Infinity 0.891900 -Infinity
25756
239 pt -11.28526 8.48431 -13.83900 Infinity 0.919886 Infinity
25757
240 pt -11.58698 10.79990 -15.85736 Infinity 0.807183 Infinity
25758
241 pt -15.75700 15.93880 -12.14328 -Infinity 0.710743 -Infinity
25759
242 pt -17.40105 15.04925 -11.86602 Infinity 0.693664 Infinity
25760
243 pt -15.74133 17.55525 -11.16455 Infinity 0.696160 Infinity
25761
244 pt -7.46752 19.13546 -14.92644 -Infinity 0.728696 -Infinity
25762
245 pt -7.66246 17.40029 -14.20375 Infinity 0.785898 Infinity
25763
246 pt -8.55466 20.34538 -13.96453 Infinity 0.707290 Infinity
25764
247 pt -10.53625 7.73404 -20.48593 -Infinity 0.719576 -Infinity
25765
248 pt -10.80887 6.05831 -19.65605 Infinity 0.748248 Infinity
25766
249 pt -11.67100 9.02175 -19.69523 Infinity 0.715162 Infinity
25767
250 pt -14.36927 17.86717 -17.06409 -Infinity 0.627033 -Infinity
25768
251 pt -14.75108 17.00463 -15.42661 Infinity 0.659704 Infinity
25769
252 pt -14.51661 19.73791 -16.84117 Infinity 0.602565 Infinity
25770
253 pt -12.66500 13.32470 -8.67149 -Infinity 0.924009 -Infinity
25771
254 pt -13.65323 14.07266 -10.09803 Infinity 0.839135 Infinity
25772
255 pt -13.49630 13.76045 -7.03133 Infinity 0.913062 Infinity
25773
256 pt -13.67827 11.26792 -18.59649 -Infinity 0.689279 -Infinity
25774
257 pt -14.24624 12.83372 -19.48910 Infinity 0.646410 Infinity
25775
258 pt -15.15898 10.12670 -18.32047 Infinity 0.679831 Infinity
25776
259 pt -9.55339 17.21483 -19.29744 -Infinity 0.653482 -Infinity
25777
260 pt -11.34684 17.11207 -18.71090 Infinity 0.647204 Infinity
25778
261 pt -8.50757 18.07798 -17.98127 Infinity 0.676267 Infinity
25779
262 pt -16.11529 15.20521 -21.27371 -Infinity 0.570807 -Infinity
25780
263 pt -15.75164 16.40768 -19.86201 Infinity 0.584668 Infinity
25781
264 pt -16.14015 16.14542 -22.91275 Infinity 0.539932 Infinity
25782
265 pt -15.56829 20.36333 -9.39387 -Infinity 0.666156 -Infinity
25783
266 pt -16.07069 22.00868 -10.17584 Infinity 0.621040 Infinity
25784
267 pt -16.21938 20.28211 -7.62171 Infinity 0.671467 Infinity
25785
268 pt -5.83198 9.47565 -18.95146 -Infinity 0.817559 -Infinity
25786
269 pt -7.58202 8.93919 -19.42118 Infinity 0.784922 Infinity
25787
270 pt -5.66628 9.50966 -17.06932 Infinity 0.897337 Infinity
25788
271 pt 3.38442 18.20482 -19.47594 -Infinity 0.671808 -Infinity
25789
272 pt 1.56553 18.01042 -19.95017 Infinity 0.671029 Infinity
25790
273 pt 4.34352 16.66656 -20.00975 Infinity 0.680395 Infinity
25791
274 pt -5.40750 14.21745 -21.14232 -Infinity 0.688570 -Infinity
25792
275 pt -5.41256 12.47926 -20.40088 Infinity 0.732643 Infinity
25793
276 pt -6.94637 15.15245 -20.56896 Infinity 0.678956 Infinity
25794
277 pt 1.81479 7.96251 -17.37458 -Infinity 0.938079 -Infinity
25795
278 pt 1.91184 9.15839 -15.91461 Infinity 0.996961 Infinity
25796
279 pt 2.11320 8.90641 -18.98426 Infinity 0.847344 Infinity
25797
280 pt -2.39332 19.06226 -15.80485 -Infinity 0.745978 -Infinity
25798
281 pt -4.25568 19.13871 -15.49363 Infinity 0.742877 Infinity
25799
282 pt -2.07355 18.64941 -17.62098 Infinity 0.713319 Infinity
25800
283 pt -1.68238 19.08772 -8.26701 -Infinity 0.933902 -Infinity
25801
284 pt -3.51000 19.43636 -7.93635 Infinity 0.912268 Infinity
25802
285 pt -0.81896 18.65374 -6.64306 Infinity 0.995691 Infinity
25803
286 pt 0.52002 16.42955 -12.34775 -Infinity 0.934807 -Infinity
25804
287 pt -0.15323 16.97692 -10.66900 Infinity 0.971189 Infinity
25805
288 pt -0.61746 17.05879 -13.71934 Infinity 0.865958 Infinity
25806
289 pt 1.98065 6.69708 -10.83121 -Infinity 1.515946 -Infinity
25807
290 pt 2.12083 8.35916 -11.71942 Infinity 1.337344 Infinity
25808
291 pt 3.13420 6.68228 -9.33449 Infinity 1.678352 Infinity
25809
292 pt -3.42667 11.77689 -8.96841 -Infinity 1.359546 -Infinity
25810
293 pt -1.84664 12.20825 -8.02580 Infinity 1.431714 Infinity
25811
294 pt -4.79608 12.98906 -8.49259 Infinity 1.255441 Infinity
25812
295 pt -1.69237 17.86562 -20.75920 -Infinity 0.657141 -Infinity
25813
296 pt -2.77243 16.31592 -20.70484 Infinity 0.680601 Infinity
25814
297 pt -2.14215 18.89517 -22.27867 Infinity 0.610601 Infinity
25815
298 pt 2.49165 11.35976 -13.31677 -Infinity 1.080668 -Infinity
25816
299 pt 4.29092 11.88128 -13.56521 Infinity 1.017050 Infinity
25817
300 pt 1.45565 12.86986 -12.85059 Infinity 1.058163 Infinity
25818
301 pt 4.15252 19.68006 -14.52758 -Infinity 0.745114 -Infinity
25819
302 pt 4.10421 19.22717 -16.36160 Infinity 0.716188 Infinity
25820
303 pt 3.17467 18.40251 -13.53624 Infinity 0.812418 Infinity
25821
304 pt -5.34370 9.06368 -13.58434 -Infinity 1.103219 -Infinity
25822
305 pt -4.56431 10.12326 -12.22754 Infinity 1.179262 Infinity
25823
306 pt -7.21176 9.34764 -13.61181 Infinity 1.042527 Infinity
25824
307 pt 5.51927 12.74782 -7.79955 -Infinity 1.249138 -Infinity
25825
308 pt 6.84925 11.60319 -8.50102 Infinity 1.220021 Infinity
25826
309 pt 6.04120 14.54719 -8.04638 Infinity 1.103454 Infinity
25827
310 pt 7.55436 17.69531 -8.34983 -Infinity 0.900714 -Infinity
25828
311 pt 8.93140 16.86303 -7.35882 Infinity 0.918985 Infinity
25829
312 pt 8.25726 18.35602 -9.97478 Infinity 0.828686 Infinity
25830
313 pt 12.51249 8.26332 -17.98031 -Infinity 0.732378 -Infinity
25831
314 pt 12.76226 7.06121 -19.41684 Infinity 0.698269 Infinity
25832
315 pt 12.89613 10.02207 -18.55536 Infinity 0.697287 Infinity
25833
316 pt 15.15884 14.50936 -15.18404 -Infinity 0.674503 -Infinity
25834
317 pt 14.53029 13.69582 -16.76964 Infinity 0.667926 Infinity
25835
318 pt 16.96787 15.00880 -15.40544 Infinity 0.632415 Infinity
25836
319 pt 11.69219 13.42591 -11.37753 -Infinity 0.854874 -Infinity
25837
320 pt 13.10795 13.80736 -12.56965 Infinity 0.780173 Infinity
25838
321 pt 12.02058 14.26792 -9.71794 Infinity 0.862692 Infinity
25839
322 pt 19.34259 17.78521 -10.15276 -Infinity 0.615282 -Infinity
25840
323 pt 20.00734 18.81381 -11.59192 Infinity 0.579759 Infinity
25841
324 pt 17.61212 18.38885 -9.69216 Infinity 0.642678 Infinity
25842
325 pt 14.81928 20.47548 -9.64201 -Infinity 0.657760 -Infinity
25843
326 pt 12.98040 20.09696 -9.42681 Infinity 0.699969 Infinity
25844
327 pt 15.06826 21.53924 -11.18392 Infinity 0.620279 Infinity
25845
328 pt 14.98960 21.15041 -20.51340 -Infinity 0.525908 -Infinity
25846
329 pt 16.21386 22.53867 -20.89417 Infinity 0.498392 Infinity
25847
330 pt 13.51704 21.26688 -21.69199 Infinity 0.523655 Infinity
25848
331 pt 13.89714 12.83429 -19.90002 -Infinity 0.628991 -Infinity
25849
332 pt 15.54440 12.73368 -20.82060 Infinity 0.591790 Infinity
25850
333 pt 12.66681 13.84586 -20.91691 Infinity 0.617104 Infinity
25851
334 pt 19.90037 11.17117 -7.02000 -Infinity 0.710087 -Infinity
25852
335 pt 21.11673 11.41620 -8.44530 Infinity 0.663350 Infinity
25853
336 pt 19.66650 12.80626 -6.10194 Infinity 0.704780 Infinity
25854
337 pt 15.86269 7.87110 -13.98275 -Infinity 0.752166 -Infinity
25855
338 pt 14.54444 7.97837 -15.33248 Infinity 0.755211 Infinity
25856
339 pt 17.31748 8.99070 -14.43126 Infinity 0.698463 Infinity
25857
340 pt 16.39515 7.65079 -8.74054 -Infinity 0.843483 -Infinity
25858
341 pt 16.02361 7.79589 -10.58769 Infinity 0.820191 Infinity
25859
342 pt 17.57347 9.03468 -8.22335 Infinity 0.793767 Infinity
25860
343 pt 7.35602 12.96712 -14.14005 -Infinity 0.894698 -Infinity
25861
344 pt 7.55479 14.02921 -15.69038 Infinity 0.813274 Infinity
25862
345 pt 8.83938 13.23166 -12.99957 Infinity 0.892281 Infinity
25863
346 pt 9.16167 19.75382 -12.73453 -Infinity 0.723115 -Infinity
25864
347 pt 10.48554 19.52288 -14.06310 Infinity 0.687086 Infinity
25865
348 pt 7.45229 19.75250 -13.54020 Infinity 0.731004 Infinity
25866
349 pt 19.08923 7.72276 -19.74195 -Infinity 0.584280 -Infinity
25867
350 pt 19.73365 8.29805 -21.42267 Infinity 0.549989 Infinity
25868
351 pt 18.67399 5.88097 -19.82218 Infinity 0.594118 Infinity
25869
352 pt 19.79476 20.54213 -14.54931 -Infinity 0.539441 -Infinity
25870
353 pt 20.98725 21.54737 -15.61632 Infinity 0.507326 Infinity
25871
354 pt 18.17457 21.49339 -14.34640 Infinity 0.550654 Infinity
25872
355 pt 8.64408 15.94060 -18.12350 -Infinity 0.697321 -Infinity
25873
356 pt 9.97512 17.12261 -17.48928 Infinity 0.675063 Infinity
25874
357 pt 8.94243 15.57806 -19.95397 Infinity 0.659186 Infinity
25875
358 pt 8.82613 8.03355 -14.40712 -Infinity 0.948679 -Infinity
25876
359 pt 8.04667 9.75462 -14.44486 Infinity 0.940247 Infinity
25877
360 pt 10.17945 7.92485 -15.72157 Infinity 0.858306 Infinity
25878
361 pt 9.29230 9.05855 -9.37460 -Infinity 1.150300 -Infinity
25879
362 pt 10.64746 10.37483 -9.41947 Infinity 1.035895 Infinity
25880
363 pt 9.11065 8.28136 -11.08751 Infinity 1.093950 Infinity
25881
364 pt 12.59669 18.81052 -16.48611 -Infinity 0.632512 -Infinity
25882
365 pt 13.51646 19.77205 -17.82796 Infinity 0.588866 Infinity
25883
366 pt 13.68251 17.39202 -15.86974 Infinity 0.647996 Infinity
25884
367 pt 19.85642 15.93879 -16.90106 -Infinity 0.559867 -Infinity
25885
368 pt 19.89665 16.39185 -18.73523 Infinity 0.535918 Infinity
25886
369 pt 20.11655 17.49491 -15.86092 Infinity 0.553310 Infinity
25887
370 pt 20.01766 10.81344 -15.74681 -Infinity 0.609927 -Infinity
25888
371 pt 19.77103 9.70771 -17.25930 Infinity 0.600329 Infinity
25889
372 pt 20.13911 12.61722 -16.29697 Infinity 0.588659 Infinity
25890
373 pt -10.99975 -18.26670 -1.58814 -Infinity 0.660348 -Infinity
25891
374 pt -12.19115 -16.96504 -0.91189 Infinity 0.677614 Infinity
25892
375 pt -9.67840 -17.42449 -2.64445 Infinity 0.696655 Infinity
25893
376 pt -17.07083 -16.08788 3.90702 -Infinity 0.611921 -Infinity
25894
377 pt -15.88624 -15.62046 2.51083 Infinity 0.644745 Infinity
25895
378 pt -17.82565 -14.52063 4.64527 Infinity 0.623929 Infinity
25896
379 pt -7.64994 -15.34517 -4.31904 -Infinity 0.780901 -Infinity
25897
380 pt -5.84107 -15.10074 -3.82987 Infinity 0.814768 Infinity
25898
381 pt -8.56352 -13.69504 -4.20271 Infinity 0.828827 Infinity
25899
382 pt -18.71629 -16.46951 -4.51883 -Infinity 0.586992 -Infinity
25900
383 pt -19.33046 -15.17993 -3.28156 Infinity 0.601181 Infinity
25901
384 pt -19.81721 -16.44497 -6.05455 Infinity 0.567057 Infinity
25902
385 pt -9.86958 -10.73163 -3.77467 -Infinity 0.926352 -Infinity
25903
386 pt -8.61631 -10.35951 -2.41015 Infinity 0.991089 Infinity
25904
387 pt -11.58603 -10.16106 -3.22757 Infinity 0.902783 Infinity
25905
388 pt -10.02702 -11.78005 3.35272 -Infinity 0.861736 -Infinity
25906
389 pt -8.56520 -11.65389 2.16183 Infinity 0.914001 Infinity
25907
390 pt -10.23784 -10.14071 4.26880 Infinity 0.909066 Infinity
25908
391 pt -13.61008 -14.11734 0.31863 -Infinity 0.726631 -Infinity
25909
392 pt -12.36112 -13.30664 1.48222 Infinity 0.771232 Infinity
25910
393 pt -14.28236 -12.82486 -0.88495 Infinity 0.748793 Infinity
25911
394 pt -18.89254 -11.57911 5.90750 -Infinity 0.646018 -Infinity
25912
395 pt -17.49422 -10.44899 6.48940 Infinity 0.688813 Infinity
25913
396 pt -19.96403 -10.66110 4.65044 Infinity 0.647472 Infinity
25914
397 pt -17.70216 -20.26343 6.80330 -Infinity 0.526225 -Infinity
25915
398 pt -18.03035 -19.64993 8.56028 Infinity 0.522505 Infinity
25916
399 pt -17.52634 -18.78390 5.64091 Infinity 0.554391 Infinity
25917
400 pt -16.47244 -7.48576 1.83753 -Infinity 0.818356 -Infinity
25918
401 pt -15.80439 -7.69944 3.59227 Infinity 0.821138 Infinity
25919
402 pt -18.32419 -7.86214 1.81719 Infinity 0.751755 Infinity
25920
403 pt -10.83507 -16.28220 6.09082 -Infinity 0.681187 -Infinity
25921
404 pt -10.06551 -17.55494 4.92507 Infinity 0.668070 Infinity
25922
405 pt -10.60371 -14.54903 5.37411 Infinity 0.737120 Infinity
25923
406 pt -14.75563 -9.61330 -2.50363 -Infinity 0.824932 -Infinity
25924
407 pt -15.44173 -8.47209 -3.84452 Infinity 0.828644 Infinity
25925
408 pt -15.26895 -8.96858 -0.80307 Infinity 0.829284 Infinity
25926
409 pt -15.26511 -7.85027 6.85549 -Infinity 0.791697 -Infinity
25927
410 pt -13.44176 -7.38505 6.68226 Infinity 0.861316 Infinity
25928
411 pt -16.24581 -6.34821 7.44972 Infinity 0.784627 Infinity
25929
412 pt -9.15438 -20.04402 2.90454 -Infinity 0.628146 -Infinity
25930
413 pt -9.72706 -21.82639 3.16200 Infinity 0.584771 Infinity
25931
414 pt -9.67213 -19.45718 1.18448 Infinity 0.642721 Infinity
25932
415 pt 4.74260 -10.87171 2.62635 -Infinity 1.005550 -Infinity
25933
416 pt 5.45488 -12.53617 3.16793 Infinity 0.899348 Infinity
25934
417 pt 5.78505 -9.47290 3.35277 Infinity 1.049039 Infinity
25935
418 pt 1.39282 -12.03772 -5.60169 -Infinity 0.972261 -Infinity
25936
419 pt 1.90544 -13.30982 -6.90171 Infinity 0.883377 Infinity
25937
420 pt 2.79706 -11.80478 -4.35875 Infinity 0.989448 Infinity
25938
421 pt -5.13490 -20.95879 6.01158 -Infinity 0.615821 -Infinity
25939
422 pt -4.30841 -22.59381 5.54823 Infinity 0.586193 Infinity
25940
423 pt -6.38208 -20.48111 4.67464 Infinity 0.628831 Infinity
25941
424 pt 0.80653 -14.65011 6.66278 -Infinity 0.803826 -Infinity
25942
425 pt 1.28655 -15.88757 5.31767 Infinity 0.775595 Infinity
25943
426 pt 0.34539 -12.99966 5.86627 Infinity 0.886342 Infinity
25944
427 pt 2.05846 -18.14120 3.17919 -Infinity 0.715991 -Infinity
25945
428 pt 2.05716 -19.83688 4.01329 Infinity 0.662220 Infinity
25946
429 pt 0.99258 -18.20418 1.62002 Infinity 0.725206 Infinity
25947
430 pt 5.51209 -11.81956 -2.46075 -Infinity 0.958233 -Infinity
25948
431 pt 5.14304 -11.37459 -0.66162 Infinity 0.994024 Infinity
25949
432 pt 6.27713 -13.54570 -2.53962 Infinity 0.861236 Infinity
25950
433 pt 3.41915 -19.86918 -3.86376 -Infinity 0.666339 -Infinity
25951
434 pt 3.58604 -20.32871 -5.68915 Infinity 0.646083 Infinity
25952
435 pt 3.85303 -21.36548 -2.79423 Infinity 0.628605 Infinity
25953
436 pt 6.55191 -15.50130 3.81204 -Infinity 0.761633 -Infinity
25954
437 pt 7.58635 -16.40606 5.10912 Infinity 0.710721 Infinity
25955
438 pt 5.02949 -16.53620 3.38508 Infinity 0.747166 Infinity
25956
439 pt -0.79121 -18.45813 -1.21443 -Infinity 0.724178 -Infinity
25957
440 pt 0.69393 -18.89521 -2.29813 Infinity 0.707877 Infinity
25958
441 pt -2.03094 -19.88416 -1.23802 Infinity 0.679128 Infinity
25959
442 pt -2.83510 -13.97798 -2.79863 -Infinity 0.897056 -Infinity
25960
443 pt -1.49241 -13.11311 -3.80870 Infinity 0.941185 Infinity
25961
444 pt -2.12832 -15.55072 -2.02533 Infinity 0.830333 Infinity
25962
445 pt -0.17210 -10.23512 4.23724 -Infinity 1.076317 -Infinity
25963
446 pt 1.57482 -10.29569 3.51913 Infinity 1.077949 Infinity
25964
447 pt -1.26924 -9.15871 3.13782 Infinity 1.186132 Infinity
25965
448 pt -6.12880 -10.84941 -0.06947 -Infinity 1.031741 -Infinity
25966
449 pt -4.94121 -12.04284 -0.92762 Infinity 0.984524 Infinity
25967
450 pt -5.18631 -9.30529 0.47685 Infinity 1.160515 Infinity
25968
451 pt 7.76589 -7.18951 4.61041 -Infinity 1.079918 -Infinity
25969
452 pt 9.38297 -7.68424 3.76698 Infinity 1.009878 Infinity
25970
453 pt 8.12034 -6.64738 6.38566 Infinity 1.038773 Infinity
25971
454 pt 17.83890 -21.01193 -0.73845 -Infinity 0.520125 -Infinity
25972
455 pt 16.80784 -21.52338 0.76034 Infinity 0.522373 Infinity
25973
456 pt 17.74482 -19.13748 -0.95905 Infinity 0.547549 Infinity
25974
457 pt 10.07091 -19.79995 0.44172 -Infinity 0.620405 -Infinity
25975
458 pt 8.83641 -20.63464 1.60378 Infinity 0.611332 Infinity
25976
459 pt 11.72871 -19.59363 1.32502 Infinity 0.606103 Infinity
25977
460 pt 17.98754 -20.08072 -6.03318 -Infinity 0.524281 -Infinity
25978
461 pt 16.66582 -20.87587 -7.12490 Infinity 0.523383 Infinity
25979
462 pt 17.82062 -20.72970 -4.26626 Infinity 0.521320 Infinity
25980
463 pt 16.77539 -16.03417 -1.64681 -Infinity 0.609989 -Infinity
25981
464 pt 16.47146 -16.29730 -3.49328 Infinity 0.607527 Infinity
25982
465 pt 15.31655 -15.09785 -0.89438 Infinity 0.651343 Infinity
25983
466 pt 21.35337 -8.75204 2.25166 -Infinity 0.630590 -Infinity
25984
467 pt 20.93489 -10.03363 0.92747 Infinity 0.626517 Infinity
25985
468 pt 20.19564 -7.26817 2.08182 Infinity 0.676917 Infinity
25986
469 pt 20.71891 -12.57719 -1.40578 -Infinity 0.598205 -Infinity
25987
470 pt 19.86510 -11.24473 -2.43855 Infinity 0.632392 Infinity
25988
471 pt 19.53435 -14.02547 -1.14055 Infinity 0.598131 Infinity
25989
472 pt 8.75085 -8.62870 -5.08563 -Infinity 1.003221 -Infinity
25990
473 pt 7.48727 -9.63927 -4.10931 Infinity 1.008997 Infinity
25991
474 pt 7.93409 -7.92860 -6.63928 Infinity 1.036863 Infinity
25992
475 pt 13.08368 -11.32581 -4.44236 -Infinity 0.778872 -Infinity
25993
476 pt 11.55387 -10.28216 -4.81859 Infinity 0.848829 Infinity
25994
477 pt 12.89101 -12.13983 -2.74787 Infinity 0.768688 Infinity
25995
478 pt 12.69856 -8.82518 2.88449 -Infinity 0.858949 -Infinity
25996
479 pt 13.18546 -8.66094 4.70301 Infinity 0.827778 Infinity
25997
480 pt 13.06551 -7.20470 1.98423 Infinity 0.904982 Infinity
25998
481 pt 7.36721 -16.67960 -2.84940 -Infinity 0.730624 -Infinity
25999
482 pt 5.80780 -17.68137 -3.21786 Infinity 0.715306 Infinity
26000
483 pt 8.43285 -17.60925 -1.59592 Infinity 0.692867 Infinity
26001
484 pt 17.75984 -9.22629 -3.76181 -Infinity 0.709841 -Infinity
26002
485 pt 16.06502 -10.02630 -4.00392 Infinity 0.736650 Infinity
26003
486 pt 17.67784 -7.40819 -4.27059 Infinity 0.742458 Infinity
26004
487 pt 10.41891 -17.56460 -7.19965 -Infinity 0.648686 -Infinity
26005
488 pt 11.16532 -19.14736 -6.48633 Infinity 0.610618 Infinity
26006
489 pt 9.21862 -16.81334 -5.94826 Infinity 0.689514 Infinity
26007
490 pt 14.38784 -19.25402 3.15846 -Infinity 0.578259 -Infinity
26008
491 pt 15.53903 -17.75700 3.08967 Infinity 0.590412 Infinity
26009
492 pt 14.13489 -19.77328 4.95775 Infinity 0.565497 Infinity
26010
493 pt 12.70392 -13.36255 0.30638 -Infinity 0.740109 -Infinity
26011
494 pt 11.22987 -14.37820 0.91195 Infinity 0.739498 Infinity
26012
495 pt 12.80412 -11.74981 1.28621 Infinity 0.779449 Infinity
26013
496 pt -21.21177 -2.74350 -5.23846 -Infinity 0.728822 -Infinity
26014
497 pt -20.62476 -1.83659 -6.78894 Infinity 0.743696 Infinity
26015
498 pt -22.97511 -3.36932 -5.50312 Infinity 0.671023 Infinity
26016
499 pt -9.82236 2.07308 -3.93727 -Infinity 1.648058 -Infinity
26017
500 pt -11.01964 2.75673 -5.22964 Infinity 1.426758 Infinity
26018
501 pt -8.05347 2.54887 -4.40174 Infinity 1.960390 Infinity
26019
502 pt -7.84169 2.66255 6.20741 -Infinity 1.551338 -Infinity
26020
503 pt -6.93555 2.18118 4.62051 Infinity 1.858436 Infinity
26021
504 pt -9.69654 2.77740 5.86478 Infinity 1.396066 Infinity
26022
505 pt -15.02454 -3.39124 -0.90347 -Infinity 1.000970 -Infinity
26023
506 pt -15.72490 -4.71163 0.25288 Infinity 0.926453 Infinity
26024
507 pt -15.44508 -3.83182 -2.69235 Infinity 0.961523 Infinity
26025
508 pt -15.66200 5.16397 -2.15396 -Infinity 1.054350 -Infinity
26026
509 pt -17.37758 4.68695 -2.78666 Infinity 0.946990 Infinity
26027
510 pt -14.89415 3.69603 -1.24478 Infinity 1.121079 Infinity
26028
511 pt -13.07784 1.29955 0.05323 -Infinity 1.261644 -Infinity
26029
512 pt -11.72325 1.54476 -1.24139 Infinity 1.423187 Infinity
26030
513 pt -13.91131 -0.37509 -0.21506 Infinity 1.154117 Infinity
26031
514 pt -13.04261 2.70865 5.09845 -Infinity 1.150938 -Infinity
26032
515 pt -13.00607 2.23876 3.26844 Infinity 1.213911 Infinity
26033
516 pt -14.21244 1.54885 6.02443 Infinity 1.034026 Infinity
26034
517 pt -20.06184 3.36760 -3.83540 -Infinity 0.814001 -Infinity
26035
518 pt -21.27056 3.45178 -5.28557 Infinity 0.758325 Infinity
26036
519 pt -20.58933 1.99069 -2.65347 Infinity 0.795675 Infinity
26037
520 pt -10.48386 -4.41563 1.33638 -Infinity 1.241262 -Infinity
26038
521 pt -12.10646 -4.03136 0.44723 Infinity 1.156852 Infinity
26039
522 pt -9.03437 -3.76461 0.31353 Infinity 1.427863 Infinity
26040
523 pt -13.47419 4.66648 -6.82693 -Infinity 1.131314 -Infinity
26041
524 pt -14.38482 4.95985 -5.19728 Infinity 1.107311 Infinity
26042
525 pt -14.72486 4.26206 -8.18463 Infinity 1.010518 Infinity
26043
526 pt -16.69777 -5.62427 -5.35646 -Infinity 0.841313 -Infinity
26044
527 pt -18.39318 -4.79021 -5.38775 Infinity 0.795221 Infinity
26045
528 pt -15.56952 -4.80832 -6.63409 Infinity 0.887660 Infinity
26046
529 pt -10.19211 -6.99025 5.65679 -Infinity 1.014417 -Infinity
26047
530 pt -10.38533 -6.03809 4.03594 Infinity 1.094479 Infinity
26048
531 pt -8.51457 -6.58843 6.42847 Infinity 1.073122 Infinity
26049
532 pt 5.52738 2.65015 -4.06070 -Infinity 2.354941 -Infinity
26050
533 pt 6.35149 3.17831 -2.44424 Infinity 2.303688 Infinity
26051
534 pt 5.39328 4.13920 -5.21647 Infinity 2.230405 Infinity
26052
535 pt -1.60004 -3.19208 4.38459 -Infinity 1.816032 -Infinity
26053
536 pt -1.72749 -1.30798 4.45503 Infinity 2.126662 Infinity
26054
537 pt 0.21917 -3.69947 4.32065 Infinity 1.743738 Infinity
26055
538 pt -4.89822 3.24663 -4.94573 -Infinity 2.767274 -Infinity
26056
539 pt -5.04778 5.07082 -5.41584 Infinity 2.483694 Infinity
26057
540 pt -3.65241 3.05810 -3.53738 Infinity 4.120233 Infinity
26058
541 pt 0.58719 1.91585 5.69948 -Infinity 2.237412 -Infinity
26059
542 pt 0.32004 3.74588 6.08767 Infinity 2.194060 Infinity
26060
543 pt 2.28279 1.68170 4.89874 Infinity 2.306922 Infinity
26061
544 pt -3.04632 -6.84229 1.07757 -Infinity 1.460595 -Infinity
26062
545 pt -2.80684 -6.13152 -0.65694 Infinity 1.599112 Infinity
26063
546 pt -2.69077 -5.50329 2.36277 Infinity 1.604911 Infinity
26064
547 pt -7.05562 -2.18746 -1.77842 -Infinity 1.862818 -Infinity
26065
548 pt -7.91473 -1.08974 -3.05435 Infinity 1.817164 Infinity
26066
549 pt -5.46275 -2.88590 -2.51735 Infinity 1.961315 Infinity
26067
550 pt -2.43542 -4.22654 -3.42351 -Infinity 1.903383 -Infinity
26068
551 pt -2.14858 -5.47052 -4.81681 Infinity 1.602998 Infinity
26069
552 pt -1.03085 -2.96242 -3.40724 Infinity 2.267561 Infinity
26070
553 pt -5.62531 6.77310 1.45771 -Infinity 2.445274 -Infinity
26071
554 pt -6.71577 7.49063 0.09128 Infinity 2.158336 Infinity
26072
555 pt -5.83185 4.89540 1.50910 Infinity 2.682882 Infinity
26073
556 pt -5.66799 1.48068 1.69978 -Infinity 2.661834 -Infinity
26074
557 pt -3.99851 1.86226 0.90085 Infinity 3.922688 Infinity
26075
558 pt -6.52045 0.08948 0.74638 Infinity 2.297638 Infinity
26076
559 pt 1.94012 -1.34688 -4.30055 -Infinity 2.431693 -Infinity
26077
560 pt 3.24965 -0.00523 -4.06358 Infinity 2.589209 Infinity
26078
561 pt 2.26651 -2.26853 -5.91768 Infinity 1.939782 Infinity
26079
562 pt 5.34753 1.04920 3.70821 -Infinity 2.000024 -Infinity
26080
563 pt 5.98942 2.14266 2.30700 Infinity 2.152929 Infinity
26081
564 pt 6.65092 0.94163 5.07227 Infinity 1.629354 Infinity
26082
565 pt 3.61038 -3.88120 4.41976 -Infinity 1.561183 -Infinity
26083
566 pt 4.99807 -5.15305 4.25309 Infinity 1.364856 Infinity
26084
567 pt 4.23666 -2.18744 3.86299 Infinity 1.765862 Infinity
26085
568 pt 16.55097 -4.56507 -5.66572 -Infinity 0.820236 -Infinity
26086
569 pt 16.10201 -5.29853 -7.34843 Infinity 0.803553 Infinity
26087
570 pt 14.97082 -4.12484 -4.72743 Infinity 0.902513 Infinity
26088
571 pt 12.32976 3.20160 -0.44967 -Infinity 1.247998 -Infinity
26089
572 pt 12.49382 2.07325 1.05731 Infinity 1.208338 Infinity
26090
573 pt 14.03885 3.51419 -1.19289 Infinity 1.102369 Infinity
26091
574 pt 12.85312 0.36470 3.80633 -Infinity 1.096566 -Infinity
26092
575 pt 11.46511 0.47491 5.08396 Infinity 1.157107 Infinity
26093
576 pt 14.32253 1.40544 4.37969 Infinity 1.003311 Infinity
26094
577 pt 16.39473 3.96916 5.44336 -Infinity 0.883930 -Infinity
26095
578 pt 15.99966 5.80754 5.25526 Infinity 0.899528 Infinity
26096
579 pt 16.08587 3.43704 7.23012 Infinity 0.862720 Infinity
26097
580 pt 21.27508 3.59125 3.64663 -Infinity 0.718162 -Infinity
26098
581 pt 19.48455 3.60090 4.25074 Infinity 0.773805 Infinity
26099
582 pt 21.52872 2.15275 2.44769 Infinity 0.715573 Infinity
26100
583 pt 17.24677 3.47794 -2.06959 -Infinity 0.900760 -Infinity
26101
584 pt 18.23165 2.11592 -1.20589 Infinity 0.851521 Infinity
26102
585 pt 17.41558 3.28797 -3.94215 Infinity 0.882088 Infinity
26103
586 pt 18.49156 -4.12957 2.42116 -Infinity 0.767819 -Infinity
26104
587 pt 16.73927 -4.20485 1.71769 Infinity 0.834586 Infinity
26105
588 pt 18.41253 -4.09156 4.30885 Infinity 0.756442 Infinity
26106
589 pt 7.53358 4.48702 0.40329 -Infinity 1.972273 -Infinity
26107
590 pt 7.59403 6.06608 1.43962 Infinity 1.836310 Infinity
26108
591 pt 9.29022 3.97395 -0.06794 Infinity 1.635726 Infinity
26109
592 pt 20.65248 -0.46880 -0.62064 -Infinity 0.742028 -Infinity
26110
593 pt 21.10069 -1.36664 -2.22191 Infinity 0.720156 Infinity
26111
594 pt 19.94427 -1.70628 0.61959 Infinity 0.754236 Infinity
26112
595 pt 13.52229 -4.06897 1.02423 -Infinity 0.989320 -Infinity
26113
596 pt 13.09221 -2.48996 1.96912 Infinity 1.049713 Infinity
26114
597 pt 12.74061 -4.00808 -0.69517 Infinity 1.043369 Infinity
26115
598 pt 9.09710 -0.64341 -6.27014 -Infinity 1.359445 -Infinity
26116
599 pt 7.84480 0.56108 -5.52716 Infinity 1.602286 Infinity
26117
600 pt 9.85209 0.11299 -7.82863 Infinity 1.241361 Infinity
26118
601 pt 11.56980 -4.32769 -3.74550 -Infinity 1.084069 -Infinity
26119
602 pt 10.70352 -2.87585 -4.58978 Infinity 1.186988 Infinity
26120
603 pt 10.59354 -5.91472 -4.06066 Infinity 1.066288 Infinity
26121
604 pt -14.37489 14.79254 2.86223 -Infinity 0.877001 -Infinity
26122
605 pt -15.47905 14.28177 1.41619 Infinity 0.862841 Infinity
26123
606 pt -15.30357 14.53326 4.48747 Infinity 0.832972 Infinity
26124
607 pt -12.43163 7.91278 5.06405 -Infinity 1.139214 -Infinity
26125
608 pt -12.77932 6.05653 5.13127 Infinity 1.150763 Infinity
26126
609 pt -13.04589 8.61058 3.41881 Infinity 1.127967 Infinity
26127
610 pt -20.46171 8.37994 1.57156 -Infinity 0.775875 -Infinity
26128
611 pt -21.62527 8.42576 0.08324 Infinity 0.739874 Infinity
26129
612 pt -20.40127 6.62563 2.27142 Infinity 0.787297 Infinity
26130
613 pt -10.86252 18.03316 4.58923 -Infinity 0.857164 -Infinity
26131
614 pt -11.65105 19.20654 5.84321 Infinity 0.784160 Infinity
26132
615 pt -12.20393 16.96663 3.79287 Infinity 0.868155 Infinity
26133
616 pt -7.62739 9.69345 5.20698 -Infinity 1.414681 -Infinity
26134
617 pt -9.43536 9.14435 5.23531 Infinity 1.305413 Infinity
26135
618 pt -6.70485 8.75721 3.84925 Infinity 1.687437 Infinity
26136
619 pt -7.64291 14.62148 6.82715 -Infinity 1.041510 -Infinity
26137
620 pt -8.81644 15.74990 5.86770 Infinity 0.981201 Infinity
26138
621 pt -7.64059 12.90157 6.04422 Infinity 1.163327 Infinity
26139
622 pt -20.78293 18.64521 -0.96947 -Infinity 0.634240 -Infinity
26140
623 pt -22.28420 19.79282 -0.95369 Infinity 0.590068 Infinity
26141
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26143
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26144
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26145
628 pt -19.67270 18.34853 4.18052 -Infinity 0.646957 -Infinity
26146
629 pt -19.07921 19.95700 4.97530 Infinity 0.628281 Infinity
26147
630 pt -18.93724 16.87666 5.10989 Infinity 0.680178 Infinity
26148
631 pt -7.81314 14.55526 -7.57305 -Infinity 1.087816 -Infinity
26149
632 pt -7.71577 15.21061 -5.80328 Infinity 1.104160 Infinity
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633 pt -9.55638 13.90903 -7.91155 Infinity 1.043037 Infinity
26151
634 pt -12.91453 19.83862 -2.99528 -Infinity 0.779137 -Infinity
26152
635 pt -14.66097 20.20466 -3.61739 Infinity 0.728315 Infinity
26153
636 pt -12.10809 21.44062 -2.40002 Infinity 0.749936 Infinity
26154
637 pt -8.87658 13.43907 0.41737 -Infinity 1.227553 -Infinity
26155
638 pt -10.53232 13.62314 1.30939 Infinity 1.111810 Infinity
26156
639 pt -8.81467 11.76606 -0.45914 Infinity 1.368865 Infinity
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640 pt -13.92407 9.28420 0.20927 -Infinity 1.097582 -Infinity
26158
641 pt -15.16853 10.67928 -0.06663 Infinity 0.983358 Infinity
26159
642 pt -14.55155 7.70596 -0.61929 Infinity 1.098333 Infinity
26160
643 pt -8.63770 8.92541 -2.02872 -Infinity 1.640195 -Infinity
26161
644 pt -10.49535 8.60680 -2.16546 Infinity 1.430344 Infinity
26162
645 pt -7.82588 8.65768 -3.71405 Infinity 1.724425 Infinity
26163
646 pt -8.36050 17.33965 -2.88362 -Infinity 1.002555 -Infinity
26164
647 pt -8.42219 15.95092 -1.60350 Infinity 1.087479 Infinity
26165
648 pt -10.04039 18.20164 -2.96087 Infinity 0.911077 Infinity
26166
649 pt -17.64135 21.10223 -4.49207 -Infinity 0.647165 -Infinity
26167
650 pt -17.92009 22.97116 -4.47104 Infinity 0.609241 Infinity
26168
651 pt -18.78687 20.27926 -3.23447 Infinity 0.644436 Infinity
26169
652 pt -14.54625 14.75835 -4.13208 -Infinity 0.880055 -Infinity
26170
653 pt -14.06084 16.47716 -3.51473 Infinity 0.848721 Infinity
26171
654 pt -15.86950 14.03040 -2.99622 Infinity 0.858079 Infinity
26172
655 pt -1.04546 8.94453 2.24419 -Infinity 2.483007 -Infinity
26173
656 pt -2.65249 8.05176 1.80659 Infinity 2.723702 Infinity
26174
657 pt -0.44631 8.36953 3.94168 Infinity 2.277418 Infinity
26175
658 pt 5.16511 13.32438 6.05084 -Infinity 1.201604 -Infinity
26176
659 pt 7.05453 13.29982 6.07484 Infinity 1.126555 Infinity
26177
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26178
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26179
662 pt 1.09761 10.57935 0.24042 Infinity 2.188347 Infinity
26180
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26181
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26182
665 pt 1.04279 12.24137 -4.05781 Infinity 1.725457 Infinity
26183
666 pt 2.40938 12.81192 -6.76588 Infinity 1.429384 Infinity
26184
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26185
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26186
669 pt 0.21621 15.73009 -4.40516 Infinity 1.268199 Infinity
26187
670 pt -3.54349 13.76946 1.45809 -Infinity 1.456692 -Infinity
26188
671 pt -2.76162 12.05158 1.55090 Infinity 1.734597 Infinity
26189
672 pt -5.38995 13.60334 1.09195 Infinity 1.402756 Infinity
26190
673 pt 2.22952 15.85316 2.70724 -Infinity 1.218779 -Infinity
26191
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26192
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26193
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26194
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26195
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26197
680 pt -6.97561 19.52573 -5.44413 Infinity 0.900819 Infinity
26198
681 pt -7.32297 18.28912 -8.25071 Infinity 0.902249 Infinity
26199
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26200
683 pt -2.40322 18.98149 -2.25569 Infinity 1.027345 Infinity
26201
684 pt -5.40964 19.07807 -1.56370 Infinity 0.982832 Infinity
26202
685 pt 7.18685 20.32983 4.21061 -Infinity 0.835642 -Infinity
26203
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26204
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26205
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26206
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26207
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26208
691 pt -5.81877 7.99780 -6.42794 -Infinity 1.826772 -Infinity
26209
692 pt -4.63189 9.19518 -7.28155 Infinity 1.708504 Infinity
26210
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26211
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26212
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26213
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26214
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26215
698 pt -2.79934 16.12481 3.94771 Infinity 1.164467 Infinity
26216
699 pt -4.83245 16.10229 6.26994 Infinity 1.054049 Infinity
26217
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26218
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26219
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26220
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26221
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26222
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26223
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26224
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26225
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26226
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26227
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26228
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26229
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26230
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26231
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26232
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26233
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26234
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26235
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26236
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26237
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26238
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26239
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26240
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26241
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26242
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26243
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26245
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26246
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26247
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26248
731 pt 20.03934 16.89812 -6.75935 Infinity 0.637619 Infinity
26249
732 pt 20.82778 16.98520 -3.77647 Infinity 0.632492 Infinity
26250
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26251
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26252
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26253
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26254
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26255
738 pt 13.19789 19.82402 -3.99883 Infinity 0.747621 Infinity
26256
739 pt 8.22933 8.58297 3.72200 -Infinity 1.445905 -Infinity
26257
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26258
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26259
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26260
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26261
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26262
745 pt -17.86368 -6.72738 21.14779 -Infinity 0.533441 -Infinity
26263
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26264
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26265
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26266
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26267
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26268
751 pt -13.40368 -15.47951 10.67088 -Infinity 0.619863 -Infinity
26269
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26270
753 pt -12.62790 -15.57854 8.95059 Infinity 0.646094 Infinity
26271
754 pt -9.03127 -8.80733 21.17836 -Infinity 0.595736 -Infinity
26272
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26273
756 pt -7.41888 -9.78769 21.27923 Infinity 0.593596 Infinity
26274
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26275
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26276
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26277
760 pt -7.73996 -19.83491 18.06086 -Infinity 0.514395 -Infinity
26278
761 pt -8.67690 -21.45781 18.30455 Infinity 0.489162 Infinity
26279
762 pt -8.39471 -18.95313 16.52306 Infinity 0.539320 Infinity
26280
763 pt -18.52987 -9.50268 12.70867 -Infinity 0.612077 -Infinity
26281
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26282
765 pt -18.70046 -7.62253 12.62496 Infinity 0.631760 Infinity
26283
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26284
767 pt -11.96667 -19.32979 7.31538 Infinity 0.593842 Infinity
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26286
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26287
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26288
771 pt -12.78418 -10.90337 14.33420 Infinity 0.655007 Infinity
26289
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26290
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26291
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26292
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26293
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26294
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26295
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26296
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26297
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26298
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26299
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26300
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26301
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26302
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26303
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26304
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26305
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26306
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26307
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26308
791 pt -6.56357 -10.89036 15.34196 Infinity 0.704445 Infinity
26309
792 pt -5.33476 -13.15272 17.04445 Infinity 0.636257 Infinity
26310
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26311
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26312
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26313
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26314
797 pt -5.80656 -8.26281 12.64467 Infinity 0.847126 Infinity
26315
798 pt -5.50136 -6.27069 14.98241 Infinity 0.820620 Infinity
26316
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26317
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26318
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26319
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26320
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26321
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26322
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26323
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26324
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26325
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26326
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26327
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26328
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26329
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26330
813 pt -1.42404 -6.14832 14.93899 Infinity 0.851411 Infinity
26331
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26332
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26333
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26334
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26335
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26336
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26337
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26338
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26339
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26340
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26341
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26342
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26343
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26344
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26345
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26346
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26347
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26348
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26349
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26350
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26351
834 pt 21.35990 -10.47961 13.84562 Infinity 0.532902 Infinity
26352
835 pt 13.63113 -19.83526 8.24221 -Infinity 0.552318 -Infinity
26353
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26354
837 pt 11.82784 -19.27034 8.23455 Infinity 0.578478 Infinity
26355
838 pt 12.96204 -14.11224 12.55146 -Infinity 0.611985 -Infinity
26356
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26357
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26358
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26359
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26360
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26361
844 pt 13.58072 -7.55220 7.80552 -Infinity 0.796222 -Infinity
26362
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26363
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26364
847 pt 17.00849 -9.18742 18.65710 -Infinity 0.544994 -Infinity
26365
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26366
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26367
850 pt 10.69447 -18.87821 14.87486 -Infinity 0.536955 -Infinity
26368
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26369
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26370
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26371
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26372
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26373
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26374
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26375
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26376
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26377
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26378
861 pt -15.21829 -0.58864 17.76688 Infinity 0.660218 Infinity
26379
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26380
863 pt -9.38839 -5.84328 15.22949 Infinity 0.768985 Infinity
26381
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26382
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26383
866 pt -17.93010 2.58160 8.64812 Infinity 0.803868 Infinity
26384
867 pt -19.87395 4.08392 6.77963 Infinity 0.768210 Infinity
26385
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26386
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26387
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26388
871 pt -19.46895 -4.41129 13.56382 -Infinity 0.635008 -Infinity
26389
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26390
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26391
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26392
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26393
876 pt -13.86075 -4.37498 16.56043 Infinity 0.681522 Infinity
26394
877 pt -15.93705 -0.20604 8.36098 -Infinity 0.869633 -Infinity
26395
878 pt -14.57889 -0.79264 9.53671 Infinity 0.884546 Infinity
26396
879 pt -17.17813 -1.60376 8.08317 Infinity 0.814984 Infinity
26397
880 pt -14.77930 5.29641 15.34938 -Infinity 0.734041 -Infinity
26398
881 pt -14.78921 3.83309 16.54507 Infinity 0.706274 Infinity
26399
882 pt -13.89403 4.80218 13.75467 Infinity 0.800676 Infinity
26400
883 pt -19.13113 -4.29163 8.40810 -Infinity 0.718947 -Infinity
26401
884 pt -20.80996 -4.58439 7.59147 Infinity 0.682109 Infinity
26402
885 pt -19.34240 -4.24397 10.28538 Infinity 0.687394 Infinity
26403
886 pt -12.00019 -1.54852 11.49486 -Infinity 0.901949 -Infinity
26404
887 pt -10.32769 -1.52531 10.61551 Infinity 0.996662 Infinity
26405
888 pt -11.89258 -2.65034 13.02635 Infinity 0.836535 Infinity
26406
889 pt -9.44112 -1.08729 19.32086 -Infinity 0.703442 -Infinity
26407
890 pt -9.11075 -2.31293 20.72076 Infinity 0.662259 Infinity
26408
891 pt -8.28776 0.39909 19.49830 Infinity 0.719921 Infinity
26409
892 pt -18.77414 7.27242 12.60860 -Infinity 0.693377 -Infinity
26410
893 pt -17.42930 6.60546 13.75648 Infinity 0.705952 Infinity
26411
894 pt -18.91657 6.15791 11.08918 Infinity 0.721963 Infinity
26412
895 pt -12.53796 3.70251 11.02412 -Infinity 0.940048 -Infinity
26413
896 pt -12.15385 1.91863 11.51533 Infinity 0.930882 Infinity
26414
897 pt -13.21787 3.73909 9.26132 Infinity 0.979978 Infinity
26415
898 pt 5.45112 -4.11506 16.61274 -Infinity 0.790734 -Infinity
26416
899 pt 4.26697 -4.96272 17.81703 Infinity 0.750476 Infinity
26417
900 pt 4.50980 -2.82031 15.60843 Infinity 0.859949 Infinity
26418
901 pt 0.10406 2.35482 19.91382 -Infinity 0.759715 -Infinity
26419
902 pt -0.78446 3.53730 21.08997 Infinity 0.721042 Infinity
26420
903 pt -0.44438 0.58156 20.26855 Infinity 0.741424 Infinity
26421
904 pt -7.25767 -1.01790 9.68710 -Infinity 1.186653 -Infinity
26422
905 pt -7.36189 0.34408 8.38126 Infinity 1.324424 Infinity
26423
906 pt -6.38326 -0.35240 11.22449 Infinity 1.128365 Infinity
26424
907 pt -3.60308 -3.69806 15.84672 -Infinity 0.855663 -Infinity
26425
908 pt -4.30932 -2.14052 15.04274 Infinity 0.912383 Infinity
26426
909 pt -2.90858 -3.26893 17.55101 Infinity 0.799480 Infinity
26427
910 pt -5.16823 0.93583 13.95801 -Infinity 1.001756 -Infinity
26428
911 pt -6.27962 2.26872 14.70586 Infinity 0.948875 Infinity
26429
912 pt -3.36800 1.50707 14.02090 Infinity 1.030358 Infinity
26430
913 pt -5.45417 -5.22758 7.37472 -Infinity 1.216454 -Infinity
26431
914 pt -6.16245 -3.72514 8.27587 Infinity 1.219477 Infinity
26432
915 pt -4.07580 -4.67144 6.20773 Infinity 1.383416 Infinity
26433
916 pt -1.29328 -2.63746 20.40038 -Infinity 0.714375 -Infinity
26434
917 pt 0.00072 -3.99022 20.14216 Infinity 0.709112 Infinity
26435
918 pt -2.05263 -2.81107 22.12210 Infinity 0.662980 Infinity
26436
919 pt 3.32393 6.59266 15.37574 -Infinity 0.931103 -Infinity
26437
920 pt 2.22601 7.99704 16.00291 Infinity 0.895074 Infinity
26438
921 pt 2.28476 5.02981 15.15506 Infinity 0.965945 Infinity
26439
922 pt 3.11322 -0.68141 13.59846 -Infinity 1.015908 -Infinity
26440
923 pt 1.91027 0.64294 14.20680 Infinity 1.013277 Infinity
26441
924 pt 2.53745 -1.33424 11.92116 Infinity 1.120676 Infinity
26442
925 pt 1.77230 -1.95876 8.96304 -Infinity 1.360945 -Infinity
26443
926 pt 2.51973 -3.14039 7.69176 Infinity 1.387422 Infinity
26444
927 pt 1.02338 -0.46818 8.07515 Infinity 1.569855 Infinity
26445
928 pt -5.02899 6.57725 8.59094 -Infinity 1.439450 -Infinity
26446
929 pt -5.85156 4.98091 8.00262 Infinity 1.504346 Infinity
26447
930 pt -5.90134 8.06110 7.81100 Infinity 1.409847 Infinity
26448
931 pt 5.15093 3.62175 19.56521 -Infinity 0.746646 -Infinity
26449
932 pt 3.39598 2.93910 19.72392 Infinity 0.754689 Infinity
26450
933 pt 5.16422 5.04529 18.32247 Infinity 0.788647 Infinity
26451
934 pt -0.39772 3.00872 14.94089 -Infinity 0.996185 -Infinity
26452
935 pt -1.45898 4.50417 14.48440 Infinity 1.022444 Infinity
26453
936 pt -0.36954 2.80484 16.81938 Infinity 0.891727 Infinity
26454
937 pt -6.64425 3.06743 20.98053 -Infinity 0.698459 -Infinity
26455
938 pt -8.05623 3.05403 22.23640 Infinity 0.652721 Infinity
26456
939 pt -5.08996 3.77883 21.78622 Infinity 0.685815 Infinity
26457
940 pt -3.54157 6.82065 13.62282 -Infinity 1.040152 -Infinity
26458
941 pt -4.02150 6.90554 11.79703 Infinity 1.160866 Infinity
26459
942 pt -5.07583 6.45005 14.66193 Infinity 0.960613 Infinity
26460
943 pt 15.28954 2.36986 10.19337 -Infinity 0.822764 -Infinity
26461
944 pt 14.41915 3.27122 11.60794 Infinity 0.816574 Infinity
26462
945 pt 15.82133 0.65151 10.77263 Infinity 0.784277 Infinity
26463
946 pt 13.60355 5.48759 20.47038 -Infinity 0.619190 -Infinity
26464
947 pt 15.05711 4.42863 21.05073 Infinity 0.590809 Infinity
26465
948 pt 14.20976 6.75061 19.20218 Infinity 0.633299 Infinity
26466
949 pt 17.83254 -4.42492 7.54910 -Infinity 0.732961 -Infinity
26467
950 pt 17.61326 -3.43547 9.14408 Infinity 0.727644 Infinity
26468
951 pt 16.41993 -5.66854 7.37883 Infinity 0.757980 Infinity
26469
952 pt 20.63972 -5.69244 17.81691 -Infinity 0.535632 -Infinity
26470
953 pt 22.06784 -6.15054 18.96655 Infinity 0.503874 Infinity
26471
954 pt 19.21926 -6.91543 18.05700 Infinity 0.543159 Infinity
26472
955 pt 9.03181 -5.69478 9.46746 -Infinity 0.938918 -Infinity
26473
956 pt 8.50802 -6.82408 10.88922 Infinity 0.874114 Infinity
26474
957 pt 8.73234 -3.89244 9.95010 Infinity 0.983537 Infinity
26475
958 pt 8.08021 -1.06664 11.74695 -Infinity 0.990159 -Infinity
26476
959 pt 9.12324 -1.17997 13.31867 Infinity 0.888892 Infinity
26477
960 pt 6.27345 -0.76190 12.20933 Infinity 1.026981 Infinity
26478
961 pt 7.59029 6.14261 8.18668 -Infinity 1.275227 -Infinity
26479
962 pt 5.89006 6.69737 8.79702 Infinity 1.315351 Infinity
26480
963 pt 8.92505 6.80634 9.34812 Infinity 1.110670 Infinity
26481
964 pt 16.80377 -2.32911 12.31047 -Infinity 0.704942 -Infinity
26482
965 pt 15.60888 -3.45022 13.25197 Infinity 0.704297 Infinity
26483
966 pt 18.35497 -2.04458 13.35156 Infinity 0.654882 Infinity
26484
967 pt 10.05782 -1.84147 16.49900 -Infinity 0.753019 -Infinity
26485
968 pt 10.18833 -0.51533 17.83892 Infinity 0.722533 Infinity
26486
969 pt 8.44492 -2.80179 16.71670 Infinity 0.763485 Infinity
26487
970 pt 9.02810 1.27670 7.27222 -Infinity 1.240869 -Infinity
26488
971 pt 8.88806 0.32548 8.89906 Infinity 1.133737 Infinity
26489
972 pt 8.66390 3.10571 7.57740 Infinity 1.268528 Infinity
26490
973 pt 10.01204 1.83638 20.06942 -Infinity 0.674890 -Infinity
26491
974 pt 8.23299 2.46528 19.96678 Infinity 0.700553 Infinity
26492
975 pt 11.18347 3.29651 20.32797 Infinity 0.655429 Infinity
26493
976 pt 13.02417 4.68104 14.39939 -Infinity 0.776954 -Infinity
26494
977 pt 14.17957 5.93935 15.20734 Infinity 0.725356 Infinity
26495
978 pt 12.54694 3.35997 15.66355 Infinity 0.753151 Infinity
26496
979 pt 20.48377 -0.73546 19.46276 -Infinity 0.538589 -Infinity
26497
980 pt 21.58446 -0.96894 20.98100 Infinity 0.506776 Infinity
26498
981 pt 20.28909 -2.38668 18.56463 Infinity 0.547030 Infinity
26499
982 pt 13.50884 -5.46811 15.27661 -Infinity 0.683600 -Infinity
26500
983 pt 13.04466 -6.89550 16.42473 Infinity 0.652119 Infinity
26501
984 pt 12.36487 -3.99948 15.60146 Infinity 0.713307 Infinity
26502
985 pt -8.55980 13.14484 11.60942 -Infinity 0.897709 -Infinity
26503
986 pt -9.33519 11.43110 11.42802 Infinity 0.929792 Infinity
26504
987 pt -8.19326 13.85596 9.89740 Infinity 0.946729 Infinity
26505
988 pt -10.43541 18.37426 18.47159 -Infinity 0.604938 -Infinity
26506
989 pt -10.09195 17.95508 20.28194 Infinity 0.582428 Infinity
26507
990 pt -10.76314 16.78285 17.50667 Infinity 0.640092 Infinity
26508
991 pt -11.44291 8.86343 17.26625 -Infinity 0.727551 -Infinity
26509
992 pt -12.84567 7.74339 16.67563 Infinity 0.727249 Infinity
26510
993 pt -11.11900 8.55419 19.10214 Infinity 0.685825 Infinity
26511
994 pt -11.82218 13.92481 15.61239 -Infinity 0.706146 -Infinity
26512
995 pt -11.79539 12.21857 16.42424 Infinity 0.709821 Infinity
26513
996 pt -10.65669 13.93414 14.12491 Infinity 0.761610 Infinity
26514
997 pt -17.72016 14.22438 6.78915 -Infinity 0.737970 -Infinity
26515
998 pt -19.25309 13.23262 6.30170 Infinity 0.717557 Infinity
26516
999 pt -17.17032 13.72297 8.52619 Infinity 0.736874 Infinity
26517
1000 pt -16.78842 12.13266 11.60129 -Infinity 0.717205 -Infinity
26518
1001 pt -17.48318 10.39528 11.86563 Infinity 0.715146 Infinity
26519
1002 pt -14.97916 12.17814 12.14496 Infinity 0.748214 Infinity
26520
1003 pt -11.12408 8.79062 10.23757 -Infinity 0.978502 -Infinity
26521
1004 pt -11.71684 8.82636 8.44357 Infinity 1.026277 Infinity
26522
1005 pt -11.29046 7.03717 10.92223 Infinity 0.971111 Infinity
26523
1006 pt -21.45675 14.31266 12.50291 -Infinity 0.589539 -Infinity
26524
1007 pt -21.54147 15.99513 13.35917 Infinity 0.564560 Infinity
26525
1008 pt -19.64982 13.79723 12.30199 Infinity 0.628450 Infinity
26526
1009 pt -16.10633 17.16413 16.42901 -Infinity 0.590757 -Infinity
26527
1010 pt -14.88178 15.81373 15.93108 Infinity 0.630027 Infinity
26528
1011 pt -15.33966 18.86105 16.10691 Infinity 0.584952 Infinity
26529
1012 pt -7.99357 20.83353 10.28601 -Infinity 0.727873 -Infinity
26530
1013 pt -9.74674 20.75071 9.58559 Infinity 0.719793 Infinity
26531
1014 pt -6.77770 21.23809 8.89711 Infinity 0.753375 Infinity
26532
1015 pt -0.48096 9.94791 16.49141 -Infinity 0.855198 -Infinity
26533
1016 pt -1.63713 8.87621 15.44940 Infinity 0.918678 Infinity
26534
1017 pt -1.23474 11.66781 16.70311 Infinity 0.817729 Infinity
26535
1018 pt 3.68075 8.66128 10.59626 -Infinity 1.192522 -Infinity
26536
1019 pt 3.34560 7.55119 12.08838 Infinity 1.118651 Infinity
26537
1020 pt 4.73096 10.13819 11.13184 Infinity 1.079536 Infinity
26538
1021 pt -1.30131 18.55493 10.05203 -Infinity 0.856115 -Infinity
26539
1022 pt -1.82915 17.95009 8.34129 Infinity 0.927473 Infinity
26540
1023 pt -2.56975 17.99795 11.33729 Infinity 0.835331 Infinity
26541
1024 pt -2.85349 14.51688 16.98704 -Infinity 0.752516 -Infinity
26542
1025 pt -3.94520 15.24942 15.62961 Infinity 0.773620 Infinity
26543
1026 pt -3.85797 14.34022 18.57791 Infinity 0.705802 Infinity
26544
1027 pt -3.24106 20.38192 17.67302 -Infinity 0.631631 -Infinity
26545
1028 pt -3.66432 19.21288 16.24991 Infinity 0.679157 Infinity
26546
1029 pt -4.67239 21.58458 17.94860 Infinity 0.603142 Infinity
26547
1030 pt -5.50453 17.17533 13.19699 -Infinity 0.786218 -Infinity
26548
1031 pt -6.44576 15.59295 12.77130 Infinity 0.829609 Infinity
26549
1032 pt -6.37051 18.65683 12.40559 Infinity 0.759345 Infinity
26550
1033 pt -0.02937 6.98844 7.01504 -Infinity 1.806977 -Infinity
26551
1034 pt 1.14899 7.71722 8.30012 Infinity 1.535286 Infinity
26552
1035 pt -1.77525 6.90801 7.73373 Infinity 1.672660 Infinity
26553
1036 pt 6.77367 11.90334 13.32148 -Infinity 0.881346 -Infinity
26554
1037 pt 5.80177 11.93368 14.94183 Infinity 0.835863 Infinity
26555
1038 pt 7.65526 13.55779 13.08345 Infinity 0.835834 Infinity
26556
1039 pt 5.41851 14.45455 19.72898 -Infinity 0.660621 -Infinity
26557
1040 pt 4.29088 15.23998 18.43183 Infinity 0.688594 Infinity
26558
1041 pt 7.21713 14.89356 19.35042 Infinity 0.650436 Infinity
26559
1042 pt 2.49851 10.30866 20.89697 -Infinity 0.689878 -Infinity
26560
1043 pt 3.64088 11.79063 20.63275 Infinity 0.678221 Infinity
26561
1044 pt 1.29430 10.17383 19.44688 Infinity 0.739037 Infinity
26562
1045 pt 2.09371 16.12597 16.25688 -Infinity 0.741952 -Infinity
26563
1046 pt 2.10747 16.98531 14.57390 Infinity 0.769951 Infinity
26564
1047 pt 0.33337 15.57740 16.67084 Infinity 0.745861 Infinity
26565
1048 pt 14.28634 10.91695 9.52731 -Infinity 0.816632 -Infinity
26566
1049 pt 13.02180 9.86393 10.45639 Infinity 0.849710 Infinity
26567
1050 pt 16.02888 10.46099 10.09890 Infinity 0.758880 Infinity
26568
1051 pt 14.29889 13.47435 16.69262 -Infinity 0.636244 -Infinity
26569
1052 pt 15.92983 13.60117 17.63867 Infinity 0.596114 Infinity
26570
1053 pt 14.47159 14.33509 15.01920 Infinity 0.654074 Infinity
26571
1054 pt 17.03841 19.26055 9.68543 -Infinity 0.619091 -Infinity
26572
1055 pt 18.47326 20.07916 10.60311 Infinity 0.577611 Infinity
26573
1056 pt 15.79857 20.58105 9.14676 Infinity 0.623837 Infinity
26574
1057 pt 9.26623 16.36009 13.02088 -Infinity 0.748434 -Infinity
26575
1058 pt 11.08686 16.06847 12.60695 Infinity 0.732733 Infinity
26576
1059 pt 8.92709 18.21740 13.10118 Infinity 0.712918 Infinity
26577
1060 pt 10.65503 21.04999 19.19415 -Infinity 0.551960 -Infinity
26578
1061 pt 10.86230 21.99382 17.57017 Infinity 0.560297 Infinity
26579
1062 pt 8.92990 21.37179 19.89518 Infinity 0.550370 Infinity
26580
1063 pt 15.69520 8.39277 16.71259 -Infinity 0.652072 -Infinity
26581
1064 pt 17.58459 8.39921 16.74756 Infinity 0.618997 Infinity
26582
1065 pt 15.05866 10.17178 16.68111 Infinity 0.652733 Infinity
26583
1066 pt 19.27245 9.98681 10.68191 -Infinity 0.670442 -Infinity
26584
1067 pt 19.84427 11.65579 11.35911 Infinity 0.635965 Infinity
26585
1068 pt 20.29169 8.60382 11.46902 Infinity 0.645447 Infinity
26586
1069 pt 14.24260 15.54851 11.91662 -Infinity 0.695992 -Infinity
26587
1070 pt 14.42127 13.96236 10.90506 Infinity 0.735690 Infinity
26588
1071 pt 15.37542 16.88249 11.20369 Infinity 0.665118 Infinity
26589
1072 pt 18.29873 13.25480 20.01465 -Infinity 0.535767 -Infinity
26590
1073 pt 18.56624 15.10156 20.31295 Infinity 0.518109 Infinity
26591
1074 pt 19.95322 12.34986 20.13632 Infinity 0.520391 Infinity
26592
1075 pt 20.88558 8.61600 16.89172 -Infinity 0.563669 -Infinity
26593
1076 pt 21.94353 7.99195 15.45563 Infinity 0.566884 Infinity
26594
1077 pt 21.96533 9.60164 18.08910 Infinity 0.530842 Infinity
26595
1078 pt 10.59271 15.77112 19.59746 -Infinity 0.605113 -Infinity
26596
1079 pt 10.73961 17.64400 19.39296 Infinity 0.586962 Infinity
26597
1080 pt 11.68370 14.90918 18.31767 Infinity 0.626187 Infinity
26598
1081 pt 10.49784 8.34353 11.76116 -Infinity 0.911409 -Infinity
26599
1082 pt 11.20180 7.01540 12.90640 Infinity 0.862319 Infinity
26600
1083 pt 9.29400 9.43500 12.72581 Infinity 0.893596 Infinity
26606
1 a.u. = 0.171524 10**(-8) dyn/esu
26608
Atom X Y Z Electric field (a.u.)
26610
------------------------------------------------------------------------------------------------
26611
------------------------------------------------------------------------
26613
------------------------------------------------------------------------
26614
quantum energy -114.253209911 (-.299972E+06 kjoule/mol)
26615
quantum energy adjusted -114.253209911 (-.299972E+06 kjoule/mol)
26616
quantum energy internal -114.356309356 (-.300242E+06 kjoule/mol)
26617
Bq-nuclear energy 0.103099444 (0.270688E+03 kjoule/mol)
26618
Bq-electron energy 0.000000000 (0.000000E+00 kjoule/mol)
26619
classical energy -7.460558102 (-.195877E+05 kjoule/mol)
26620
total qmmm energy -121.713768014 (-.319559E+06 kjoule/mol)
26621
------------------------------------------------------------------------
26623
reducing step 1.25000000000000003E-3 7.15646318391036963E-5 1.00000000000000008E-5
26624
Total number of active Bq charges 1083
26625
frozen_density,esp T T
26626
disabling frozen_density,esp due to active qm atoms
26632
ao basis = "ao basis"
26639
input vectors = /home/d3p975/codes/nwchem-svn/nwchem/QA/tests/tce_qmmm_ccsd_opt/perm/fmd.movecs
26640
output vectors = /home/d3p975/codes/nwchem-svn/nwchem/QA/tests/tce_qmmm_ccsd_opt/perm/fmd.movecs
26645
Summary of "ao basis" -> "ao basis" (cartesian)
26646
------------------------------------------------------------------------------
26647
Tag Description Shells Functions and Types
26648
---------------- ------------------------------ ------ ---------------------
26649
O cc-pVDZ 6 15 3s2p1d
26650
C cc-pVDZ 6 15 3s2p1d
26655
Forming initial guess at 940.7s
26658
Loading old vectors from job with title :
26662
Nuclear repulsion energy = 31.055578695853278
26663
Bq nuclear interaction energy = 0.10317492722729958
26665
Starting SCF solution at 940.7s
26669
----------------------------------------------
26670
Quadratically convergent ROHF
26672
Convergence threshold : 1.000E-10
26673
Maximum no. of iterations : 200
26674
Final Fock-matrix accuracy: 0.000E+00
26675
----------------------------------------------
26678
#quartets = 1.471E+04 #integrals = 3.747E+05 #direct = 0.0% #cached =100.0%
26681
Integral file = /scratch/fmd.aoints.00
26682
Record size in doubles = 65536 No. of integs per rec = 43688
26683
Max. records in memory = 2 Max. records in file = 225827
26684
No. of bits per label = 8 No. of bits per value = 64
26687
File balance: exchanges= 0 moved= 0 time= 0.0
26689
Nuclear repulsion energy = 31.055578695853278
26690
Bq nuclear interaction energy = 0.10317492722729958
26692
iter energy gnorm gmax time
26693
----- ------------------- --------- --------- --------
26694
1 -113.9148317580 1.14E-03 3.14E-04 838.5
26695
Nuclear repulsion energy = 31.055578695853278
26696
Bq nuclear interaction energy = 0.10317492722729958
26697
2 -113.9148318578 4.96E-07 1.40E-07 838.7
26698
Nuclear repulsion energy = 31.055578695853278
26699
Bq nuclear interaction energy = 0.10317492722729958
26700
3 -113.9148318578 2.22E-12 4.79E-13 839.1
26701
Nuclear repulsion energy = 31.055578695853278
26702
Bq nuclear interaction energy = 0.10317492722729958
26708
Total SCF energy = -113.914831857808
26709
One-electron energy = -217.234678032901
26710
Two-electron energy = 72.161092552012
26711
Nuclear repulsion energy = 31.158753623081
26713
Time for solution = 0.7s
26739
ROHF Final Molecular Orbital Analysis
26740
-------------------------------------
26742
Vector 2 Occ=2.000000E+00 E=-1.134270E+01
26743
MO Center= 2.3E-01, 2.2E+00, -5.9E-01, r^2= 2.7E-02
26744
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
26745
----- ------------ --------------- ----- ------------ ---------------
26748
Vector 3 Occ=2.000000E+00 E=-1.396099E+00
26749
MO Center= -5.8E-01, 1.8E+00, -5.6E-01, r^2= 5.0E-01
26750
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
26751
----- ------------ --------------- ----- ------------ ---------------
26752
2 0.409240 1 O s 3 0.388413 1 O s
26753
17 0.207492 2 C s 19 -0.163955 2 C px
26755
Vector 4 Occ=2.000000E+00 E=-8.541923E-01
26756
MO Center= 1.8E-01, 2.1E+00, -5.8E-01, r^2= 1.4E+00
26757
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
26758
----- ------------ --------------- ----- ------------ ---------------
26759
17 0.355260 2 C s 3 -0.260844 1 O s
26760
18 0.234580 2 C s 31 0.228297 3 H s
26761
36 0.225494 4 H s 2 -0.192115 1 O s
26764
Vector 5 Occ=2.000000E+00 E=-6.769864E-01
26765
MO Center= -2.1E-02, 2.0E+00, -5.8E-01, r^2= 1.3E+00
26766
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
26767
----- ------------ --------------- ----- ------------ ---------------
26768
21 0.368727 2 C pz 6 0.334172 1 O pz
26769
36 -0.235748 4 H s 31 0.233028 3 H s
26772
Vector 6 Occ=2.000000E+00 E=-6.505111E-01
26773
MO Center= -5.0E-01, 1.8E+00, -5.6E-01, r^2= 1.3E+00
26774
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
26775
----- ------------ --------------- ----- ------------ ---------------
26776
4 0.437011 1 O px 19 -0.350853 2 C px
26777
7 0.290052 1 O px 3 -0.255003 1 O s
26778
5 0.203469 1 O py 20 -0.170881 2 C py
26780
Vector 7 Occ=2.000000E+00 E=-5.268550E-01
26781
MO Center= -5.5E-01, 1.8E+00, -5.6E-01, r^2= 9.2E-01
26782
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
26783
----- ------------ --------------- ----- ------------ ---------------
26784
5 0.431533 1 O py 8 0.313086 1 O py
26785
20 0.262851 2 C py 4 -0.192835 1 O px
26786
6 0.182630 1 O pz 23 0.150549 2 C py
26788
Vector 8 Occ=2.000000E+00 E=-4.362779E-01
26789
MO Center= -2.7E-01, 1.9E+00, -5.7E-01, r^2= 1.6E+00
26790
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
26791
----- ------------ --------------- ----- ------------ ---------------
26792
6 0.486111 1 O pz 9 0.408240 1 O pz
26793
31 -0.255591 3 H s 36 0.254945 4 H s
26794
21 -0.216567 2 C pz 5 -0.164227 1 O py
26796
Vector 9 Occ=0.000000E+00 E= 1.469326E-01
26797
MO Center= 4.2E-02, 2.1E+00, -5.8E-01, r^2= 1.7E+00
26798
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
26799
----- ------------ --------------- ----- ------------ ---------------
26800
23 0.584661 2 C py 8 -0.417569 1 O py
26801
20 0.370511 2 C py 5 -0.300421 1 O py
26802
22 -0.275898 2 C px 24 0.250384 2 C pz
26803
7 0.195838 1 O px 9 -0.175919 1 O pz
26804
19 -0.173653 2 C px 21 0.157120 2 C pz
26806
Vector 10 Occ=0.000000E+00 E= 2.234135E-01
26807
MO Center= 9.4E-01, 2.4E+00, -4.5E-01, r^2= 4.0E+00
26808
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
26809
----- ------------ --------------- ----- ------------ ---------------
26810
18 1.913424 2 C s 32 -1.501099 3 H s
26811
37 -1.238433 4 H s 22 0.605933 2 C px
26812
23 0.257603 2 C py 19 0.166056 2 C px
26814
Vector 11 Occ=0.000000E+00 E= 2.911958E-01
26815
MO Center= 9.8E-01, 2.6E+00, -7.9E-01, r^2= 4.1E+00
26816
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
26817
----- ------------ --------------- ----- ------------ ---------------
26818
37 1.930178 4 H s 32 -1.748797 3 H s
26819
24 1.292773 2 C pz 23 -0.448722 2 C py
26820
21 0.340813 2 C pz 9 -0.273300 1 O pz
26823
Vector 12 Occ=0.000000E+00 E= 3.719136E-01
26824
MO Center= 1.1E-01, 2.1E+00, -5.9E-01, r^2= 3.0E+00
26825
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
26826
----- ------------ --------------- ----- ------------ ---------------
26827
3 1.814345 1 O s 22 1.556780 2 C px
26828
18 -1.384223 2 C s 23 0.739715 2 C py
26829
7 0.622370 1 O px 8 0.297624 1 O py
26831
Vector 13 Occ=0.000000E+00 E= 6.836114E-01
26832
MO Center= 6.7E-01, 2.5E+00, -5.6E-01, r^2= 1.7E+00
26833
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
26834
----- ------------ --------------- ----- ------------ ---------------
26835
18 1.048070 2 C s 31 -0.764988 3 H s
26836
36 -0.748014 4 H s 30 -0.297032 2 C dzz
26837
22 0.290933 2 C px 29 0.282431 2 C dyz
26838
23 0.278264 2 C py 17 -0.214201 2 C s
26839
32 0.197813 3 H s 16 -0.195937 2 C s
26841
Vector 14 Occ=0.000000E+00 E= 6.960045E-01
26842
MO Center= 3.0E-01, 2.1E+00, -6.3E-01, r^2= 1.9E+00
26843
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
26844
----- ------------ --------------- ----- ------------ ---------------
26845
23 0.892972 2 C py 20 -0.866087 2 C py
26846
22 -0.458318 2 C px 19 0.400965 2 C px
26847
21 -0.360859 2 C pz 24 0.357491 2 C pz
26849
Vector 15 Occ=0.000000E+00 E= 7.562054E-01
26850
MO Center= 5.1E-02, 2.1E+00, -5.9E-01, r^2= 2.3E+00
26851
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
26852
----- ------------ --------------- ----- ------------ ---------------
26853
24 1.929602 2 C pz 36 0.704536 4 H s
26854
31 -0.692076 3 H s 32 -0.621626 3 H s
26855
37 0.619567 4 H s 23 -0.619386 2 C py
26856
22 0.375046 2 C px 9 -0.325084 1 O pz
26857
6 -0.297109 1 O pz 21 -0.277962 2 C pz
26859
Vector 16 Occ=0.000000E+00 E= 8.353337E-01
26860
MO Center= 5.5E-01, 2.3E+00, -5.8E-01, r^2= 2.5E+00
26861
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
26862
----- ------------ --------------- ----- ------------ ---------------
26863
24 1.507106 2 C pz 32 -1.500894 3 H s
26864
37 1.452272 4 H s 21 -0.764007 2 C pz
26865
27 0.524198 2 C dxz 23 -0.481051 2 C py
26866
36 -0.364555 4 H s 31 0.351777 3 H s
26867
22 0.325251 2 C px 29 0.265304 2 C dyz
26869
Vector 17 Occ=0.000000E+00 E= 8.941115E-01
26870
MO Center= -2.3E-02, 2.0E+00, -5.8E-01, r^2= 1.5E+00
26871
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
26872
----- ------------ --------------- ----- ------------ ---------------
26873
22 0.952778 2 C px 18 0.910395 2 C s
26874
19 -0.904325 2 C px 37 -0.530304 4 H s
26875
23 0.477185 2 C py 32 -0.468590 3 H s
26876
20 -0.444834 2 C py 7 -0.421122 1 O px
26877
26 -0.308073 2 C dxy 4 -0.267140 1 O px
26879
Vector 18 Occ=0.000000E+00 E= 9.596801E-01
26880
MO Center= 5.7E-01, 2.3E+00, -6.3E-01, r^2= 2.7E+00
26881
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
26882
----- ------------ --------------- ----- ------------ ---------------
26883
18 4.072929 2 C s 17 -1.676904 2 C s
26884
37 -1.315637 4 H s 32 -1.256389 3 H s
26885
16 -0.786791 2 C s 22 0.479564 2 C px
26886
3 -0.456555 1 O s 28 -0.288417 2 C dyy
26887
30 -0.241364 2 C dzz 23 0.237142 2 C py
26892
x = -0.59828953 y = 3.58520062 z = -1.07146670
26894
moments of inertia (a.u.)
26896
15.134036897884 -18.077393018266 0.484389466451
26897
-18.077393018266 44.120530038437 2.588170469758
26898
0.484389466451 2.588170469758 47.950526957096
26900
Mulliken analysis of the total density
26901
--------------------------------------
26903
Atom Charge Shell Charges
26904
----------- ------ -------------------------------------------------------
26905
1 O 8 8.47 2.00 0.83 0.92 2.79 1.90 0.02
26906
2 C 6 5.69 2.00 0.70 0.44 1.83 0.59 0.12
26907
3 H 1 0.93 0.75 0.15 0.03
26908
4 H 1 0.92 0.75 0.14 0.03
26910
Multipole analysis of the density wrt the origin
26911
------------------------------------------------
26913
L x y z total open nuclear
26914
- - - - ----- ---- -------
26915
0 0 0 0 0.000000 0.000000 16.000000
26917
1 1 0 0 1.399887 0.000000 -7.566435
26918
1 0 1 0 0.652241 0.000000 58.332989
26919
1 0 0 1 -0.074614 0.000000 -17.226236
26921
2 2 0 0 -10.035069 0.000000 26.739779
26922
2 1 1 0 4.670073 0.000000 -16.879550
26923
2 1 0 1 -1.467494 0.000000 8.293926
26924
2 0 2 0 -3.686102 0.000000 218.595789
26925
2 0 1 1 -1.062370 0.000000 -65.069019
26926
2 0 0 2 -8.051951 0.000000 24.128290
26928
Nuclear repulsion energy = 31.055578695853278
26929
Bq nuclear interaction energy = 0.10317492722729958
26931
Parallel integral file used 27 records with 0 large values
26933
NWChem Extensible Many-Electron Theory Module
26934
---------------------------------------------
26936
======================================================
26937
This portion of the program was automatically
26938
generated by a Tensor Contraction Engine (TCE).
26939
The development of this portion of the program
26940
and TCE was supported by US Department of Energy,
26941
Office of Science, Office of Basic Energy Science.
26942
TCE is a product of Battelle and PNNL.
26943
Please cite: S.Hirata, J.Phys.Chem.A 107, 9887 (2003).
26944
======================================================
26946
General Information
26947
-------------------
26948
Number of processors : 27
26949
Wavefunction type : Restricted Hartree-Fock
26950
No. of electrons : 16
26951
Alpha electrons : 8
26953
No. of orbitals : 80
26954
Alpha orbitals : 40
26956
Alpha frozen cores : 0
26957
Beta frozen cores : 0
26958
Alpha frozen virtuals : 0
26959
Beta frozen virtuals : 0
26960
Spin multiplicity : singlet
26961
Number of AO functions : 40
26962
Number of AO shells : 18
26963
Use of symmetry is : off
26964
Symmetry adaption is : off
26965
Schwarz screening : 0.00E+00
26967
Correlation Information
26968
-----------------------
26969
Calculation type : Coupled-cluster singles & doubles
26970
Perturbative correction : none
26971
Max iterations : 200
26972
Residual threshold : 0.10E-05
26973
T(0) DIIS level shift : 0.00E+00
26974
L(0) DIIS level shift : 0.00E+00
26975
T(1) DIIS level shift : 0.00E+00
26976
L(1) DIIS level shift : 0.00E+00
26977
T(R) DIIS level shift : 0.00E+00
26978
T(I) DIIS level shift : 0.00E+00
26979
CC-T/L Amplitude update : 5-th order DIIS
26980
I/O scheme : Global Array Library
26984
Available GA space size is 2654059007 doubles
26985
Available MA space size is 49130121 doubles
26987
Maximum block size supplied by input
26988
Maximum block size 12 doubles
26992
Block Spin Irrep Size Offset Alpha
26993
-------------------------------------------------
26994
1 alpha a 8 doubles 0 1
26995
2 beta a 8 doubles 8 1
26996
3 alpha a 10 doubles 16 3
26997
4 alpha a 11 doubles 26 4
26998
5 alpha a 11 doubles 37 5
26999
6 beta a 10 doubles 48 3
27000
7 beta a 11 doubles 58 4
27001
8 beta a 11 doubles 69 5
27003
Global array virtual files algorithm will be used
27005
Parallel file system coherency ......... OK
27007
#quartets = 1.471E+04 #integrals = 3.747E+05 #direct = 0.0% #cached =100.0%
27010
Integral file = /scratch/fmd.aoints.00
27011
Record size in doubles = 65536 No. of integs per rec = 43688
27012
Max. records in memory = 2 Max. records in file = 225827
27013
No. of bits per label = 8 No. of bits per value = 64
27016
File balance: exchanges= 0 moved= 0 time= 0.0
27019
Fock matrix recomputed
27020
1-e file size = 1600
27021
1-e file name = /scratch/fmd.f1
27022
1-e file handle = -993
27023
Cpu & wall time / sec 0.1 0.2
27025
2-e (intermediate) file size = 5769600
27026
2-e (intermediate) file name = /scratch/fmd.v2i
27027
Cpu & wall time / sec 0.1 0.1
27029
2-e file size = 3566009
27030
2-e file name = /scratch/fmd.v2
27031
2-e file handle = -991
27032
Cpu & wall time / sec 0.1 0.1
27035
t1 file name = /scratch/fmd.t1
27036
t1 file handle = -992
27037
Cpu & wall time / sec 0.0
27038
before tce_guess_t2
27041
t2 file size = 109248
27042
t2 file name = /scratch/fmd.t2
27043
t2 file handle = -989
27044
Cpu & wall time / sec 0.0
27047
-----------------------------------------------------------------
27048
Iter Residuum Correlation Cpu Wall V2*C2
27049
-----------------------------------------------------------------
27050
1 0.1517104215563 -0.3227287062929 0.2 0.2 0.0
27051
2 0.0552780603056 -0.3256051739065 0.2 0.2 0.0
27052
3 0.0173677428634 -0.3360666451562 0.2 0.2 0.0
27053
4 0.0105429795142 -0.3366024332272 0.2 0.2 0.0
27054
5 0.0044735963348 -0.3378360211406 0.2 0.2 0.0
27055
MICROCYCLE DIIS UPDATE: 5 5
27056
6 0.0016773156097 -0.3382622649298 0.2 0.2 0.0
27057
7 0.0007061479859 -0.3383720226974 0.2 0.2 0.0
27058
8 0.0003965342433 -0.3383757623344 0.2 0.2 0.0
27059
9 0.0002211637372 -0.3383801378290 0.2 0.2 0.0
27060
10 0.0001324734013 -0.3383852691995 0.2 0.2 0.0
27061
MICROCYCLE DIIS UPDATE: 10 5
27062
11 0.0000239311856 -0.3383918813936 0.2 0.2 0.0
27063
12 0.0000133948790 -0.3383924371519 0.2 0.2 0.0
27064
13 0.0000091591155 -0.3383934497567 0.2 0.2 0.0
27065
14 0.0000069453692 -0.3383935027721 0.2 0.2 0.0
27066
15 0.0000053398365 -0.3383936242956 0.2 0.2 0.0
27067
MICROCYCLE DIIS UPDATE: 15 5
27068
16 0.0000011658480 -0.3383936157757 0.2 0.2 0.0
27069
17 0.0000005970270 -0.3383937063776 0.2 0.2 0.0
27070
-----------------------------------------------------------------
27071
Iterations converged
27072
CCSD correlation energy / hartree = -0.338393706377648
27073
CCSD total energy / hartree = -114.253225564185556
27075
Singles contributions
27077
Doubles contributions
27078
9a (alpha) 9a (beta ) --- 7a (alpha) 7a (beta ) -0.1173087087
27080
CCSD Lambda iterations
27081
--------------------------------------
27082
Iter Residuum Cpu Wall
27083
--------------------------------------
27084
1 1.6754929925462 0.5 0.6
27085
2 0.0293217436064 0.5 0.6
27086
3 0.0031804956196 0.5 0.6
27087
4 0.0003674871151 0.5 0.6
27088
5 0.0001067985597 0.5 0.6
27089
MICROCYCLE DIIS UPDATE: 5 5
27090
6 0.0000239456203 0.5 0.6
27091
7 0.0000046249294 0.5 0.6
27092
8 0.0000014861569 0.5 0.6
27093
9 0.0000004819891 0.5 0.6
27094
--------------------------------------
27095
Iterations converged
27097
MO Z-VEC iterations
27098
--------------------------------------
27099
Iter Residuum Cpu Wall
27100
--------------------------------------
27101
1 0.0234836619388 0.0 0.0
27102
2 0.0076548813980 0.0 0.0
27103
3 0.0030586466690 0.0 0.0
27104
4 0.0027656612180 0.0 0.0
27105
5 0.0017225125572 0.0 0.0
27106
MICROCYCLE DIIS UPDATE: 5 5
27107
6 0.0003196969069 0.0 0.0
27108
7 0.0001724686323 0.0 0.0
27109
8 0.0000811928464 0.0 0.0
27110
9 0.0000690748566 0.0 0.0
27111
10 0.0000365909524 0.0 0.0
27112
MICROCYCLE DIIS UPDATE: 10 5
27113
11 0.0000046447400 0.0 0.0
27114
12 0.0000023115327 0.0 0.0
27115
13 0.0000011592783 0.0 0.0
27116
14 0.0000009758879 0.0 0.0
27117
--------------------------------------
27118
Iterations converged
27120
NWChem Gradients Module
27121
-----------------------
27125
wavefunction = TCE RHF CCSD
27129
ccsd ENERGY GRADIENTS
27131
atom coordinates gradient
27133
1 O -1.631542 3.087212 -1.028283 0.013665 0.002182 0.002513
27134
2 C 0.438857 4.084580 -1.114995 -0.000792 -0.000311 0.000405
27135
3 H 1.757775 4.021910 0.509636 -0.000297 0.000068 -0.000186
27136
4 H 1.094986 5.105901 -2.819635 -0.000886 0.000413 0.000323
27138
----------------------------------------
27139
| Time | 1-e(secs) | 2-e(secs) |
27140
----------------------------------------
27141
| CPU | 0.09 | 0.13 |
27142
----------------------------------------
27143
| WALL | 0.15 | 0.14 |
27144
----------------------------------------
27146
Parallel integral file used 27 records with 0 large values
27148
Bq nuclear interaction energy = 0.10317492722729958
27149
Calculating forces on classical charges
27150
---------------------------------------
27151
Total number of charges 1083
27152
NWChem Property Module
27153
----------------------
27157
---------------------------------------------
27158
Electrostatic potential/diamagnetic shielding
27159
---------------------------------------------
27161
1 a.u. = 9.07618 esu/cm ( or statvolts )
27162
Point X Y Z Total Potential(a.u.) Diamagnetic shielding(a.u.) External Bq potential
27163
1 pt -10.84723 -20.95206 -11.78146 -Infinity 0.557454 -Infinity
27164
2 pt -9.86954 -19.74677 -10.70329 Infinity 0.594238 Infinity
27165
3 pt -12.23975 -21.72296 -10.76280 Infinity 0.541872 Infinity
27166
4 pt -13.12432 -10.66221 -18.89845 -Infinity 0.613887 -Infinity
27167
5 pt -13.17481 -12.55122 -18.91048 Infinity 0.588766 Infinity
27168
6 pt -11.56404 -10.06709 -19.78301 Infinity 0.623511 Infinity
27169
7 pt -16.79699 -8.14740 -16.53412 -Infinity 0.632351 -Infinity
27170
8 pt -17.27884 -9.23445 -15.06537 Infinity 0.632782 Infinity
27171
9 pt -15.30718 -8.90379 -17.41696 Infinity 0.632080 Infinity
27172
10 pt -17.30898 -10.90330 -12.00969 -Infinity 0.648108 -Infinity
27173
11 pt -18.50874 -9.94796 -10.90562 Infinity 0.652618 Infinity
27174
12 pt -16.21979 -12.01827 -10.94126 Infinity 0.661203 Infinity
27175
13 pt -12.84229 -7.70714 -11.71753 -Infinity 0.808883 -Infinity
27176
14 pt -11.59319 -8.74068 -10.74665 Infinity 0.835252 Infinity
27177
15 pt -14.34453 -8.77082 -12.14521 Infinity 0.742124 Infinity
27178
16 pt -16.85206 -17.68011 -11.06739 -Infinity 0.559565 -Infinity
27179
17 pt -15.76932 -16.30360 -10.35749 Infinity 0.599186 Infinity
27180
18 pt -18.60009 -17.53384 -10.36448 Infinity 0.546356 Infinity
27181
19 pt -7.79409 -18.14785 -8.64779 -Infinity 0.662509 -Infinity
27182
20 pt -7.25183 -19.87408 -8.10267 Infinity 0.629521 Infinity
27183
21 pt -7.82011 -16.99304 -7.15220 Infinity 0.705648 Infinity
27184
22 pt -14.30791 -19.61047 -15.39045 -Infinity 0.523830 -Infinity
27185
23 pt -12.76608 -20.03958 -14.38562 Infinity 0.537709 Infinity
27186
24 pt -15.61429 -18.85789 -14.25112 Infinity 0.531979 Infinity
27187
25 pt -9.64833 -10.74056 -8.91994 -Infinity 0.855940 -Infinity
27188
26 pt -9.72122 -10.58857 -7.03775 Infinity 0.894228 Infinity
27189
27 pt -7.84571 -10.70876 -9.48617 Infinity 0.882568 Infinity
27190
28 pt -14.24334 -13.62735 -8.86930 -Infinity 0.686031 -Infinity
27191
29 pt -14.63665 -13.92470 -7.04504 Infinity 0.688610 Infinity
27192
30 pt -12.50957 -12.89285 -9.02937 Infinity 0.732252 Infinity
27193
31 pt 4.17234 -20.91808 -8.89511 -Infinity 0.610426 -Infinity
27194
32 pt 5.42297 -22.28335 -8.51689 Infinity 0.579036 Infinity
27195
33 pt 3.29180 -21.30218 -10.52243 Infinity 0.593603 Infinity
27196
34 pt 4.77664 -17.49376 -15.08387 -Infinity 0.617177 -Infinity
27197
35 pt 6.09922 -17.11458 -13.78846 Infinity 0.633687 Infinity
27198
36 pt 4.17901 -19.27406 -14.87300 Infinity 0.588783 Infinity
27199
37 pt -4.46367 -10.02339 -10.08086 -Infinity 0.951347 -Infinity
27200
38 pt -3.35376 -11.34455 -10.85138 Infinity 0.883453 Infinity
27201
39 pt -3.47825 -9.03697 -8.80533 Infinity 1.057387 Infinity
27202
40 pt -1.01912 -20.36332 -12.13303 -Infinity 0.605328 -Infinity
27203
41 pt -1.27339 -21.50243 -13.61925 Infinity 0.569273 Infinity
27204
42 pt -1.11259 -21.37482 -10.53954 Infinity 0.598158 Infinity
27205
43 pt -0.08713 -17.77605 -20.87779 -Infinity 0.548328 -Infinity
27206
44 pt -0.21103 -18.93207 -19.38806 Infinity 0.550313 Infinity
27207
45 pt 0.74838 -18.68106 -22.31095 Infinity 0.518742 Infinity
27208
46 pt 4.93315 -8.49329 -13.92387 -Infinity 0.863026 -Infinity
27209
47 pt 3.82292 -9.85486 -14.61999 Infinity 0.814449 Infinity
27210
48 pt 4.25572 -6.80448 -14.43383 Infinity 0.905829 Infinity
27211
49 pt 7.03824 -16.37431 -19.51718 -Infinity 0.565968 -Infinity
27212
50 pt 6.72083 -17.79078 -20.72712 Infinity 0.533574 Infinity
27213
51 pt 6.03643 -16.65551 -17.93973 Infinity 0.587925 Infinity
27214
52 pt -4.71591 -16.93543 -12.62987 -Infinity 0.667934 -Infinity
27215
53 pt -3.37892 -18.26962 -12.57116 Infinity 0.642597 Infinity
27216
54 pt -5.96766 -17.23526 -11.24629 Infinity 0.671433 Infinity
27217
55 pt -4.53577 -11.35453 -20.77147 -Infinity 0.637966 -Infinity
27218
56 pt -4.98153 -12.25795 -19.17266 Infinity 0.653171 Infinity
27219
57 pt -3.82524 -12.58688 -22.01547 Infinity 0.599241 Infinity
27220
58 pt -0.95776 -13.55463 -11.75497 -Infinity 0.789888 -Infinity
27221
59 pt 0.47152 -14.29957 -10.76842 Infinity 0.783136 Infinity
27222
60 pt -2.27347 -14.87724 -12.05609 Infinity 0.740739 Infinity
27223
61 pt 2.07895 -12.46036 -15.73869 -Infinity 0.728699 -Infinity
27224
62 pt 2.94445 -14.11610 -16.02244 Infinity 0.681108 Infinity
27225
63 pt 0.77920 -12.65243 -14.38045 Infinity 0.758436 Infinity
27226
64 pt -6.00158 -13.76493 -16.51293 -Infinity 0.669736 -Infinity
27227
65 pt -7.05943 -12.50404 -15.58439 Infinity 0.706360 Infinity
27228
66 pt -5.38350 -15.08095 -15.30582 Infinity 0.666624 Infinity
27229
67 pt 7.22251 -11.46515 -21.36665 -Infinity 0.604134 -Infinity
27230
68 pt 7.28987 -13.27500 -20.82724 Infinity 0.588659 Infinity
27231
69 pt 5.42112 -10.94078 -21.59271 Infinity 0.617986 Infinity
27232
70 pt 3.25646 -15.52294 -9.20441 -Infinity 0.755414 -Infinity
27233
71 pt 3.17872 -17.38271 -8.87841 Infinity 0.703404 Infinity
27234
72 pt 4.99112 -15.05733 -9.79197 Infinity 0.748217 Infinity
27235
73 pt 0.15304 -9.35991 -19.53028 -Infinity 0.707780 -Infinity
27236
74 pt -1.61594 -9.88576 -19.93682 Infinity 0.688156 Infinity
27237
75 pt 0.85428 -10.48963 -18.18750 Infinity 0.718855 Infinity
27238
76 pt -0.87106 -7.57185 -7.14326 -Infinity 1.252146 -Infinity
27239
77 pt 0.40400 -6.36168 -7.83663 Infinity 1.316196 Infinity
27240
78 pt 0.00402 -9.13610 -6.54458 Infinity 1.148177 Infinity
27241
79 pt 8.90602 -16.16124 -12.07934 -Infinity 0.651228 -Infinity
27242
80 pt 10.06345 -16.80113 -13.42914 Infinity 0.611733 Infinity
27243
81 pt 9.41687 -16.89020 -10.41239 Infinity 0.648349 Infinity
27244
82 pt 15.56928 -12.16173 -16.15771 -Infinity 0.589072 -Infinity
27245
83 pt 13.87594 -11.50907 -15.63073 Infinity 0.627415 Infinity
27246
84 pt 15.38859 -13.18072 -17.73888 Infinity 0.560312 Infinity
27247
85 pt 10.46901 -9.04919 -18.18007 -Infinity 0.666633 -Infinity
27248
86 pt 10.20629 -9.86869 -16.49767 Infinity 0.690366 Infinity
27249
87 pt 9.37497 -9.89184 -19.47007 Infinity 0.642016 Infinity
27250
88 pt 11.63256 -16.92691 -16.83804 -Infinity 0.558471 -Infinity
27251
89 pt 12.95383 -16.38645 -18.07626 Infinity 0.541416 Infinity
27252
90 pt 9.94404 -16.94838 -17.68626 Infinity 0.561877 Infinity
27253
91 pt 9.45735 -11.17968 -13.70332 -Infinity 0.729978 -Infinity
27254
92 pt 7.78454 -10.30611 -13.60496 Infinity 0.778665 Infinity
27255
93 pt 9.29334 -12.93519 -13.02335 Infinity 0.704671 Infinity
27256
94 pt 14.57352 -7.01191 -9.89826 -Infinity 0.780258 -Infinity
27257
95 pt 13.92516 -8.75873 -9.58312 Infinity 0.765962 Infinity
27258
96 pt 13.16652 -5.92158 -10.53276 Infinity 0.832275 Infinity
27259
97 pt 14.52071 -14.46191 -8.29747 -Infinity 0.649010 -Infinity
27260
98 pt 14.24145 -13.15411 -6.96227 Infinity 0.690915 Infinity
27261
99 pt 13.17914 -15.78698 -8.17317 Infinity 0.644051 Infinity
27262
100 pt 15.52350 -19.18550 -13.76148 -Infinity 0.521581 -Infinity
27263
101 pt 16.42370 -17.59040 -13.29634 Infinity 0.536659 Infinity
27264
102 pt 14.11818 -18.79000 -14.96136 Infinity 0.529850 Infinity
27265
103 pt 17.80980 -14.69129 -12.22448 -Infinity 0.566398 -Infinity
27266
104 pt 16.67759 -14.52178 -10.72101 Infinity 0.596150 Infinity
27267
105 pt 17.13730 -13.63881 -13.64262 Infinity 0.576618 Infinity
27268
106 pt -17.30091 3.37274 -20.58379 -Infinity 0.622219 -Infinity
27269
107 pt -16.62418 2.25017 -19.22257 Infinity 0.659044 Infinity
27270
108 pt -16.62170 2.81553 -22.25690 Infinity 0.601419 Infinity
27271
109 pt -7.95546 -4.07307 -19.46213 -Infinity 0.752035 -Infinity
27272
110 pt -6.18604 -3.60036 -18.99653 Infinity 0.794198 Infinity
27273
111 pt -9.00309 -4.21658 -17.89595 Infinity 0.784420 Infinity
27274
112 pt -10.24997 -4.43799 -14.87327 -Infinity 0.856407 -Infinity
27275
113 pt -11.59766 -5.53855 -14.13601 Infinity 0.825407 Infinity
27276
114 pt -8.61824 -4.74925 -13.97237 Infinity 0.921781 Infinity
27277
115 pt -12.87219 5.50573 -13.37258 -Infinity 0.913722 -Infinity
27278
116 pt -11.97014 3.85526 -13.55514 Infinity 0.945890 Infinity
27279
117 pt -14.43303 5.26041 -12.33592 Infinity 0.891810 Infinity
27280
118 pt -13.27301 -3.61430 -8.55496 -Infinity 0.977197 -Infinity
27281
119 pt -13.17243 -4.99407 -9.84228 Infinity 0.910828 Infinity
27282
120 pt -11.68927 -2.58476 -8.60851 Infinity 1.084874 Infinity
27283
121 pt -15.46699 0.10534 -17.21924 -Infinity 0.719141 -Infinity
27284
122 pt -14.68215 -0.01147 -15.50418 Infinity 0.780300 Infinity
27285
123 pt -16.81973 -1.20379 -17.38456 Infinity 0.680245 Infinity
27286
124 pt -8.46726 -1.50308 -9.49301 -Infinity 1.269370 -Infinity
27287
125 pt -7.00354 -0.32039 -9.32030 Infinity 1.432883 Infinity
27288
126 pt -7.86071 -3.16486 -10.15756 Infinity 1.188268 Infinity
27289
127 pt -10.80318 2.83238 -18.58697 -Infinity 0.787415 -Infinity
27290
128 pt -12.46319 1.98571 -18.90102 Infinity 0.743915 Infinity
27291
129 pt -10.22102 2.44780 -16.83077 Infinity 0.863276 Infinity
27292
130 pt -18.93771 -4.42330 -13.32449 -Infinity 0.681569 -Infinity
27293
131 pt -20.71118 -4.99156 -13.00365 Infinity 0.642078 Infinity
27294
132 pt -18.12737 -5.56876 -14.59032 Infinity 0.667533 Infinity
27295
133 pt -21.03743 2.75885 -16.81040 -Infinity 0.619387 -Infinity
27296
134 pt -20.11612 3.10195 -18.42426 Infinity 0.611956 Infinity
27297
135 pt -21.15690 0.89290 -16.53649 Infinity 0.618086 Infinity
27298
136 pt -19.60621 -0.61451 -9.83695 -Infinity 0.749422 -Infinity
27299
137 pt -21.45545 -0.39892 -10.16080 Infinity 0.692568 Infinity
27300
138 pt -18.91458 -1.94314 -10.98910 Infinity 0.742350 Infinity
27301
139 pt -19.79801 -2.65695 -19.03410 -Infinity 0.591583 -Infinity
27302
140 pt -18.76455 -3.87746 -20.04077 Infinity 0.585450 Infinity
27303
141 pt -21.29638 -3.54918 -18.30616 Infinity 0.573804 Infinity
27304
142 pt -17.01945 3.90995 -10.52095 -Infinity 0.843923 -Infinity
27305
143 pt -18.20277 5.00404 -11.50776 Infinity 0.779322 Infinity
27306
144 pt -17.85586 2.25866 -10.14053 Infinity 0.818605 Infinity
27307
145 pt -10.73110 0.64356 -13.77880 -Infinity 0.967264 -Infinity
27308
146 pt -10.66490 -1.09407 -14.51863 Infinity 0.916221 Infinity
27309
147 pt -10.09643 0.59633 -11.99946 Infinity 1.080848 Infinity
27310
148 pt -19.96420 6.69707 -13.78258 -Infinity 0.683869 -Infinity
27311
149 pt -21.04510 8.20049 -14.16000 Infinity 0.646782 Infinity
27312
150 pt -20.57727 5.21308 -14.77907 Infinity 0.658275 Infinity
27313
151 pt 4.27645 3.52693 -17.96848 -Infinity 0.909320 -Infinity
27314
152 pt 4.91577 3.51724 -19.74675 Infinity 0.821403 Infinity
27315
153 pt 3.52391 5.21574 -17.57773 Infinity 0.935863 Infinity
27316
154 pt -6.17639 -5.55571 -12.02477 -Infinity 1.041901 -Infinity
27317
155 pt -5.82558 -7.30896 -11.41309 Infinity 1.003495 Infinity
27318
156 pt -4.59381 -4.52705 -11.93320 Infinity 1.128186 Infinity
27319
157 pt -4.11777 1.33636 -9.68471 -Infinity 1.661462 -Infinity
27320
158 pt -3.55474 2.67917 -10.88925 Infinity 1.544996 Infinity
27321
159 pt -4.23005 2.05869 -7.94209 Infinity 2.007009 Infinity
27322
160 pt 3.59836 0.72645 -11.24339 -Infinity 1.402080 -Infinity
27323
161 pt 5.14809 1.53399 -11.96263 Infinity 1.280165 Infinity
27324
162 pt 2.27551 2.04490 -10.95563 Infinity 1.530629 Infinity
27325
163 pt -2.21719 4.79677 -13.03885 -Infinity 1.312996 -Infinity
27326
164 pt -3.42342 6.18760 -13.46507 Infinity 1.228797 Infinity
27327
165 pt -0.66164 5.52897 -12.25447 Infinity 1.404792 Infinity
27328
166 pt 3.82599 -3.32824 -15.07553 -Infinity 0.982780 -Infinity
27329
167 pt 2.42127 -2.87035 -16.25374 Infinity 0.951251 Infinity
27330
168 pt 3.92599 -2.05099 -13.68640 Infinity 1.096849 Infinity
27331
169 pt -0.09189 1.19598 -16.39151 -Infinity 1.028465 -Infinity
27332
170 pt 1.54224 1.93467 -16.98734 Infinity 0.989080 Infinity
27333
171 pt -0.97581 2.43804 -15.27480 Infinity 1.118854 Infinity
27334
172 pt -1.95644 -2.89934 -11.69132 -Infinity 1.271384 -Infinity
27335
173 pt -0.31647 -3.32068 -10.85225 Infinity 1.327291 Infinity
27336
174 pt -2.61633 -1.26773 -11.00324 Infinity 1.415428 Infinity
27337
175 pt 2.61901 -3.73649 -8.93675 -Infinity 1.415073 -Infinity
27338
176 pt 3.02704 -2.04167 -9.66626 Infinity 1.458093 Infinity
27339
177 pt 4.17402 -4.81023 -8.92713 Infinity 1.277131 Infinity
27340
178 pt -3.13455 -2.75176 -17.46251 -Infinity 0.898660 -Infinity
27341
179 pt -2.18430 -1.14367 -17.17596 Infinity 0.946297 Infinity
27342
180 pt -3.14016 -3.77320 -15.87264 Infinity 0.953737 Infinity
27343
181 pt -2.37332 5.77743 -19.79275 -Infinity 0.843803 -Infinity
27344
182 pt -0.86921 6.26142 -18.75617 Infinity 0.893236 Infinity
27345
183 pt -3.65335 7.16637 -19.73413 Infinity 0.830022 Infinity
27346
184 pt 17.61826 2.77546 -20.84224 -Infinity 0.595778 -Infinity
27347
185 pt 17.37527 1.75654 -19.26940 Infinity 0.624919 Infinity
27348
186 pt 18.63192 1.78021 -22.08845 Infinity 0.561251 Infinity
27349
187 pt 8.87646 -4.30942 -16.48299 -Infinity 0.809710 -Infinity
27350
188 pt 9.17520 -6.03989 -17.18106 Infinity 0.755299 Infinity
27351
189 pt 7.02398 -4.04755 -16.21691 Infinity 0.859055 Infinity
27352
190 pt 18.69806 -5.45645 -12.56866 -Infinity 0.661406 -Infinity
27353
191 pt 18.43452 -5.72212 -14.42097 Infinity 0.639400 Infinity
27354
192 pt 17.29827 -6.28515 -11.60695 Infinity 0.696261 Infinity
27355
193 pt 6.85501 -6.63346 -9.49675 -Infinity 1.048831 -Infinity
27356
194 pt 8.36015 -5.61880 -10.02218 Infinity 1.019347 Infinity
27357
195 pt 6.14763 -7.53679 -10.99830 Infinity 0.974322 Infinity
27358
196 pt 7.28605 3.21663 -13.81088 -Infinity 1.068960 -Infinity
27359
197 pt 7.94022 4.98918 -13.77608 Infinity 1.043526 Infinity
27360
198 pt 6.28509 2.94439 -15.39044 Infinity 1.006489 Infinity
27361
199 pt 18.09291 -0.64842 -10.51917 -Infinity 0.750691 -Infinity
27362
200 pt 16.96803 0.45209 -11.56540 Infinity 0.774973 Infinity
27363
201 pt 18.10763 -2.39727 -11.23497 Infinity 0.724853 Infinity
27364
202 pt 16.49241 -0.69586 -17.13455 -Infinity 0.671957 -Infinity
27365
203 pt 14.82800 -0.98990 -17.97973 Infinity 0.686138 Infinity
27366
204 pt 17.49222 -2.29943 -17.13486 Infinity 0.643305 Infinity
27367
205 pt 18.34757 3.21853 -7.00221 -Infinity 0.809597 -Infinity
27368
206 pt 18.15794 1.76321 -8.19265 Infinity 0.797330 Infinity
27369
207 pt 17.55068 4.75766 -7.75527 Infinity 0.830087 Infinity
27370
208 pt 14.37974 -6.41972 -20.43671 -Infinity 0.604916 -Infinity
27371
209 pt 13.11041 -7.60422 -19.69050 Infinity 0.622626 Infinity
27372
210 pt 13.63115 -4.68903 -20.56068 Infinity 0.627199 Infinity
27373
211 pt 18.69241 -5.53020 -17.80981 -Infinity 0.590371 -Infinity
27374
212 pt 19.60331 -7.17959 -17.66543 Infinity 0.566191 Infinity
27375
213 pt 17.14994 -5.75272 -18.87862 Infinity 0.596795 Infinity
27376
214 pt 15.32870 2.62861 -13.27353 -Infinity 0.798874 -Infinity
27377
215 pt 15.60764 4.48032 -13.52732 Infinity 0.784699 Infinity
27378
216 pt 15.75373 1.70255 -14.86501 Infinity 0.746695 Infinity
27379
217 pt 12.13375 -1.76042 -19.54097 -Infinity 0.693977 -Infinity
27380
218 pt 11.31596 -0.49591 -20.68259 Infinity 0.686680 Infinity
27381
219 pt 10.83336 -2.50462 -18.38934 Infinity 0.739747 Infinity
27382
220 pt 10.79348 -4.03850 -11.69169 -Infinity 0.922125 -Infinity
27383
221 pt 10.24393 -4.17550 -13.49455 Infinity 0.877228 Infinity
27384
222 pt 10.91581 -2.21633 -11.20609 Infinity 0.975862 Infinity
27385
223 pt 10.94454 1.05124 -10.90195 -Infinity 1.043383 -Infinity
27386
224 pt 12.62008 1.70128 -11.48599 Infinity 0.947687 Infinity
27387
225 pt 9.57066 1.81774 -11.94884 Infinity 1.069239 Infinity
27388
226 pt -20.51212 13.56484 -11.32196 -Infinity 0.651639 -Infinity
27389
227 pt -21.63187 15.03296 -10.91964 Infinity 0.617103 Infinity
27390
228 pt -21.18441 12.65469 -12.83547 Infinity 0.629485 Infinity
27391
229 pt -10.46524 8.63279 -8.09919 -Infinity 1.215519 -Infinity
27392
230 pt -11.63954 7.17420 -7.84504 Infinity 1.188196 Infinity
27393
231 pt -11.46416 10.18184 -8.51590 Infinity 1.083002 Infinity
27394
232 pt -8.15588 14.57243 -12.86742 -Infinity 0.896661 -Infinity
27395
233 pt -9.14653 13.06963 -13.44296 Infinity 0.897867 Infinity
27396
234 pt -7.96231 14.51861 -10.98840 Infinity 0.967295 Infinity
27397
235 pt -17.59378 8.01630 -18.38067 -Infinity 0.648040 -Infinity
27398
236 pt -17.41510 6.38181 -19.31211 Infinity 0.640088 Infinity
27399
237 pt -18.07827 7.67071 -16.58709 Infinity 0.673518 Infinity
27400
238 pt -10.47256 10.04329 -14.53196 -Infinity 0.891909 -Infinity
27401
239 pt -11.28526 8.48431 -13.83901 Infinity 0.919897 Infinity
27402
240 pt -11.58697 10.79990 -15.85737 Infinity 0.807190 Infinity
27403
241 pt -15.75699 15.93880 -12.14328 -Infinity 0.710749 -Infinity
27404
242 pt -17.40104 15.04925 -11.86603 Infinity 0.693671 Infinity
27405
243 pt -15.74132 17.55525 -11.16456 Infinity 0.696165 Infinity
27406
244 pt -7.46751 19.13551 -14.92645 -Infinity 0.728696 -Infinity
27407
245 pt -7.66246 17.40035 -14.20376 Infinity 0.785899 Infinity
27408
246 pt -8.55465 20.34543 -13.96454 Infinity 0.707290 Infinity
27409
247 pt -10.53624 7.73402 -20.48594 -Infinity 0.719582 -Infinity
27410
248 pt -10.80886 6.05830 -19.65606 Infinity 0.748254 Infinity
27411
249 pt -11.67099 9.02174 -19.69524 Infinity 0.715167 Infinity
27412
250 pt -14.36925 17.86718 -17.06409 -Infinity 0.627037 -Infinity
27413
251 pt -14.75109 17.00462 -15.42663 Infinity 0.659708 Infinity
27414
252 pt -14.51662 19.73791 -16.84116 Infinity 0.602568 Infinity
27415
253 pt -12.66499 13.32471 -8.67150 -Infinity 0.924019 -Infinity
27416
254 pt -13.65322 14.07266 -10.09804 Infinity 0.839143 Infinity
27417
255 pt -13.49630 13.76044 -7.03134 Infinity 0.913072 Infinity
27418
256 pt -13.67826 11.26792 -18.59651 -Infinity 0.689284 -Infinity
27419
257 pt -14.24622 12.83372 -19.48912 Infinity 0.646414 Infinity
27420
258 pt -15.15897 10.12670 -18.32048 Infinity 0.679837 Infinity
27421
259 pt -9.55337 17.21484 -19.29745 -Infinity 0.653484 -Infinity
27422
260 pt -11.34682 17.11208 -18.71090 Infinity 0.647207 Infinity
27423
261 pt -8.50756 18.07801 -17.98128 Infinity 0.676268 Infinity
27424
262 pt -16.11528 15.20522 -21.27372 -Infinity 0.570810 -Infinity
27425
263 pt -15.75162 16.40769 -19.86202 Infinity 0.584672 Infinity
27426
264 pt -16.14014 16.14542 -22.91276 Infinity 0.539935 Infinity
27427
265 pt -15.56830 20.36334 -9.39387 -Infinity 0.666160 -Infinity
27428
266 pt -16.07070 22.00869 -10.17584 Infinity 0.621043 Infinity
27429
267 pt -16.21940 20.28211 -7.62171 Infinity 0.671471 Infinity
27430
268 pt -5.83197 9.47565 -18.95145 -Infinity 0.817564 -Infinity
27431
269 pt -7.58201 8.93918 -19.42118 Infinity 0.784927 Infinity
27432
270 pt -5.66627 9.50966 -17.06931 Infinity 0.897342 Infinity
27433
271 pt 3.38443 18.20482 -19.47593 -Infinity 0.671807 -Infinity
27434
272 pt 1.56554 18.01042 -19.95017 Infinity 0.671027 Infinity
27435
273 pt 4.34354 16.66656 -20.00973 Infinity 0.680393 Infinity
27436
274 pt -5.40749 14.21745 -21.14231 -Infinity 0.688572 -Infinity
27437
275 pt -5.41256 12.47926 -20.40087 Infinity 0.732646 Infinity
27438
276 pt -6.94636 15.15245 -20.56896 Infinity 0.678958 Infinity
27439
277 pt 1.81481 7.96250 -17.37457 -Infinity 0.938079 -Infinity
27440
278 pt 1.91184 9.15839 -15.91460 Infinity 0.996960 Infinity
27441
279 pt 2.11320 8.90640 -18.98425 Infinity 0.847344 Infinity
27442
280 pt -2.39331 19.06226 -15.80485 -Infinity 0.745978 -Infinity
27443
281 pt -4.25567 19.13873 -15.49363 Infinity 0.742877 Infinity
27444
282 pt -2.07353 18.64940 -17.62098 Infinity 0.713319 Infinity
27445
283 pt -1.68240 19.08771 -8.26699 -Infinity 0.933899 -Infinity
27446
284 pt -3.51002 19.43635 -7.93634 Infinity 0.912267 Infinity
27447
285 pt -0.81899 18.65373 -6.64304 Infinity 0.995687 Infinity
27448
286 pt 0.52001 16.42954 -12.34773 -Infinity 0.934804 -Infinity
27449
287 pt -0.15324 16.97691 -10.66899 Infinity 0.971186 Infinity
27450
288 pt -0.61747 17.05879 -13.71933 Infinity 0.865957 Infinity
27451
289 pt 1.98065 6.69707 -10.83120 -Infinity 1.515939 -Infinity
27452
290 pt 2.12081 8.35915 -11.71942 Infinity 1.337338 Infinity
27453
291 pt 3.13420 6.68228 -9.33448 Infinity 1.678338 Infinity
27454
292 pt -3.42665 11.77689 -8.96840 -Infinity 1.359549 -Infinity
27455
293 pt -1.84663 12.20825 -8.02578 Infinity 1.431711 Infinity
27456
294 pt -4.79607 12.98905 -8.49258 Infinity 1.255447 Infinity
27457
295 pt -1.69236 17.86562 -20.75921 -Infinity 0.657141 -Infinity
27458
296 pt -2.77242 16.31591 -20.70484 Infinity 0.680602 Infinity
27459
297 pt -2.14215 18.89517 -22.27867 Infinity 0.610601 Infinity
27460
298 pt 2.49165 11.35975 -13.31676 -Infinity 1.080664 -Infinity
27461
299 pt 4.29091 11.88128 -13.56520 Infinity 1.017045 Infinity
27462
300 pt 1.45563 12.86985 -12.85058 Infinity 1.058160 Infinity
27463
301 pt 4.15251 19.68005 -14.52757 -Infinity 0.745111 -Infinity
27464
302 pt 4.10420 19.22717 -16.36159 Infinity 0.716186 Infinity
27465
303 pt 3.17466 18.40251 -13.53623 Infinity 0.812415 Infinity
27466
304 pt -5.34370 9.06368 -13.58434 -Infinity 1.103226 -Infinity
27467
305 pt -4.56432 10.12324 -12.22752 Infinity 1.179269 Infinity
27468
306 pt -7.21176 9.34763 -13.61180 Infinity 1.042536 Infinity
27469
307 pt 5.51930 12.74781 -7.79954 -Infinity 1.249122 -Infinity
27470
308 pt 6.84928 11.60319 -8.50102 Infinity 1.220004 Infinity
27471
309 pt 6.04121 14.54719 -8.04638 Infinity 1.103441 Infinity
27472
310 pt 7.55438 17.69532 -8.34983 -Infinity 0.900705 -Infinity
27473
311 pt 8.93143 16.86304 -7.35882 Infinity 0.918974 Infinity
27474
312 pt 8.25728 18.35603 -9.97478 Infinity 0.828678 Infinity
27475
313 pt 12.51246 8.26333 -17.98031 -Infinity 0.732373 -Infinity
27476
314 pt 12.76224 7.06121 -19.41684 Infinity 0.698266 Infinity
27477
315 pt 12.89611 10.02208 -18.55536 Infinity 0.697283 Infinity
27478
316 pt 15.15887 14.50933 -15.18404 -Infinity 0.674498 -Infinity
27479
317 pt 14.53032 13.69580 -16.76964 Infinity 0.667921 Infinity
27480
318 pt 16.96790 15.00878 -15.40545 Infinity 0.632410 Infinity
27481
319 pt 11.69219 13.42591 -11.37755 -Infinity 0.854865 -Infinity
27482
320 pt 13.10796 13.80736 -12.56967 Infinity 0.780165 Infinity
27483
321 pt 12.02058 14.26792 -9.71796 Infinity 0.862683 Infinity
27484
322 pt 19.34259 17.78521 -10.15277 -Infinity 0.615277 -Infinity
27485
323 pt 20.00734 18.81380 -11.59193 Infinity 0.579754 Infinity
27486
324 pt 17.61213 18.38886 -9.69215 Infinity 0.642673 Infinity
27487
325 pt 14.81930 20.47549 -9.64200 -Infinity 0.657754 -Infinity
27488
326 pt 12.98042 20.09697 -9.42679 Infinity 0.699963 Infinity
27489
327 pt 15.06827 21.53925 -11.18392 Infinity 0.620274 Infinity
27490
328 pt 14.98961 21.15041 -20.51339 -Infinity 0.525906 -Infinity
27491
329 pt 16.21386 22.53867 -20.89415 Infinity 0.498389 Infinity
27492
330 pt 13.51704 21.26689 -21.69197 Infinity 0.523653 Infinity
27493
331 pt 13.89714 12.83430 -19.90002 -Infinity 0.628988 -Infinity
27494
332 pt 15.54440 12.73368 -20.82060 Infinity 0.591787 Infinity
27495
333 pt 12.66681 13.84587 -20.91691 Infinity 0.617101 Infinity
27496
334 pt 19.90037 11.17115 -7.02000 -Infinity 0.710080 -Infinity
27497
335 pt 21.11674 11.41618 -8.44530 Infinity 0.663343 Infinity
27498
336 pt 19.66651 12.80625 -6.10195 Infinity 0.704772 Infinity
27499
337 pt 15.86267 7.87111 -13.98275 -Infinity 0.752160 -Infinity
27500
338 pt 14.54443 7.97839 -15.33248 Infinity 0.755206 Infinity
27501
339 pt 17.31747 8.99070 -14.43125 Infinity 0.698457 Infinity
27502
340 pt 16.39513 7.65080 -8.74054 -Infinity 0.843475 -Infinity
27503
341 pt 16.02359 7.79590 -10.58769 Infinity 0.820183 Infinity
27504
342 pt 17.57346 9.03467 -8.22335 Infinity 0.793759 Infinity
27505
343 pt 7.35601 12.96714 -14.14004 -Infinity 0.894692 -Infinity
27506
344 pt 7.55477 14.02922 -15.69038 Infinity 0.813269 Infinity
27507
345 pt 8.83938 13.23168 -12.99956 Infinity 0.892274 Infinity
27508
346 pt 9.16168 19.75381 -12.73454 -Infinity 0.723110 -Infinity
27509
347 pt 10.48556 19.52286 -14.06310 Infinity 0.687081 Infinity
27510
348 pt 7.45230 19.75248 -13.54021 Infinity 0.731000 Infinity
27511
349 pt 19.08923 7.72276 -19.74193 -Infinity 0.584277 -Infinity
27512
350 pt 19.73364 8.29806 -21.42266 Infinity 0.549986 Infinity
27513
351 pt 18.67399 5.88097 -19.82216 Infinity 0.594115 Infinity
27514
352 pt 19.79475 20.54212 -14.54932 -Infinity 0.539437 -Infinity
27515
353 pt 20.98724 21.54737 -15.61633 Infinity 0.507323 Infinity
27516
354 pt 18.17456 21.49338 -14.34642 Infinity 0.550650 Infinity
27517
355 pt 8.64408 15.94060 -18.12350 -Infinity 0.697318 -Infinity
27518
356 pt 9.97513 17.12260 -17.48928 Infinity 0.675060 Infinity
27519
357 pt 8.94242 15.57806 -19.95397 Infinity 0.659183 Infinity
27520
358 pt 8.82611 8.03357 -14.40711 -Infinity 0.948672 -Infinity
27521
359 pt 8.04665 9.75464 -14.44485 Infinity 0.940240 Infinity
27522
360 pt 10.17942 7.92486 -15.72157 Infinity 0.858301 Infinity
27523
361 pt 9.29233 9.05850 -9.37458 -Infinity 1.150287 -Infinity
27524
362 pt 10.64753 10.37474 -9.41941 Infinity 1.035885 Infinity
27525
363 pt 9.11065 8.28137 -11.08751 Infinity 1.093938 Infinity
27526
364 pt 12.59671 18.81049 -16.48611 -Infinity 0.632508 -Infinity
27527
365 pt 13.51648 19.77202 -17.82796 Infinity 0.588863 Infinity
27528
366 pt 13.68254 17.39199 -15.86973 Infinity 0.647992 Infinity
27529
367 pt 19.85644 15.93879 -16.90108 -Infinity 0.559862 -Infinity
27530
368 pt 19.89666 16.39186 -18.73525 Infinity 0.535914 Infinity
27531
369 pt 20.11654 17.49490 -15.86093 Infinity 0.553306 Infinity
27532
370 pt 20.01768 10.81344 -15.74680 -Infinity 0.609922 -Infinity
27533
371 pt 19.77105 9.70772 -17.25928 Infinity 0.600325 Infinity
27534
372 pt 20.13914 12.61722 -16.29697 Infinity 0.588655 Infinity
27535
373 pt -10.99976 -18.26672 -1.58815 -Infinity 0.660353 -Infinity
27536
374 pt -12.19116 -16.96506 -0.91190 Infinity 0.677620 Infinity
27537
375 pt -9.67840 -17.42451 -2.64444 Infinity 0.696661 Infinity
27538
376 pt -17.07083 -16.08789 3.90699 -Infinity 0.611927 -Infinity
27539
377 pt -15.88624 -15.62047 2.51080 Infinity 0.644751 Infinity
27540
378 pt -17.82565 -14.52064 4.64524 Infinity 0.623935 Infinity
27541
379 pt -7.64994 -15.34516 -4.31902 -Infinity 0.780908 -Infinity
27542
380 pt -5.84106 -15.10074 -3.82985 Infinity 0.814775 Infinity
27543
381 pt -8.56352 -13.69504 -4.20269 Infinity 0.828836 Infinity
27544
382 pt -18.71629 -16.46952 -4.51882 -Infinity 0.586997 -Infinity
27545
383 pt -19.33044 -15.17993 -3.28155 Infinity 0.601188 Infinity
27546
384 pt -19.81720 -16.44497 -6.05454 Infinity 0.567062 Infinity
27547
385 pt -9.86958 -10.73163 -3.77467 -Infinity 0.926366 -Infinity
27548
386 pt -8.61631 -10.35948 -2.41016 Infinity 0.991105 Infinity
27549
387 pt -11.58602 -10.16104 -3.22758 Infinity 0.902797 Infinity
27550
388 pt -10.02703 -11.78005 3.35271 -Infinity 0.861745 -Infinity
27551
389 pt -8.56521 -11.65389 2.16182 Infinity 0.914011 Infinity
27552
390 pt -10.23786 -10.14071 4.26879 Infinity 0.909077 Infinity
27553
391 pt -13.61008 -14.11735 0.31862 -Infinity 0.726639 -Infinity
27554
392 pt -12.36112 -13.30665 1.48220 Infinity 0.771241 Infinity
27555
393 pt -14.28235 -12.82487 -0.88497 Infinity 0.748802 Infinity
27556
394 pt -18.89252 -11.57912 5.90748 -Infinity 0.646025 -Infinity
27557
395 pt -17.49420 -10.44901 6.48938 Infinity 0.688821 Infinity
27558
396 pt -19.96402 -10.66109 4.65043 Infinity 0.647479 Infinity
27559
397 pt -17.70216 -20.26342 6.80329 -Infinity 0.526229 -Infinity
27560
398 pt -18.03037 -19.64992 8.56026 Infinity 0.522509 Infinity
27561
399 pt -17.52634 -18.78390 5.64089 Infinity 0.554395 Infinity
27562
400 pt -16.47243 -7.48575 1.83750 -Infinity 0.818369 -Infinity
27563
401 pt -15.80438 -7.69943 3.59224 Infinity 0.821152 Infinity
27564
402 pt -18.32419 -7.86212 1.81718 Infinity 0.751766 Infinity
27565
403 pt -10.83509 -16.28219 6.09083 -Infinity 0.681192 -Infinity
27566
404 pt -10.06553 -17.55493 4.92507 Infinity 0.668075 Infinity
27567
405 pt -10.60373 -14.54903 5.37412 Infinity 0.737126 Infinity
27568
406 pt -14.75564 -9.61332 -2.50364 -Infinity 0.824944 -Infinity
27569
407 pt -15.44173 -8.47211 -3.84453 Infinity 0.828657 Infinity
27570
408 pt -15.26895 -8.96858 -0.80308 Infinity 0.829297 Infinity
27571
409 pt -15.26510 -7.85028 6.85547 -Infinity 0.791708 -Infinity
27572
410 pt -13.44175 -7.38506 6.68223 Infinity 0.861328 Infinity
27573
411 pt -16.24580 -6.34822 7.44969 Infinity 0.784638 Infinity
27574
412 pt -9.15441 -20.04402 2.90455 -Infinity 0.628150 -Infinity
27575
413 pt -9.72708 -21.82638 3.16201 Infinity 0.584774 Infinity
27576
414 pt -9.67215 -19.45717 1.18449 Infinity 0.642726 Infinity
27577
415 pt 4.74259 -10.87172 2.62636 -Infinity 1.005545 -Infinity
27578
416 pt 5.45486 -12.53617 3.16795 Infinity 0.899344 Infinity
27579
417 pt 5.78504 -9.47291 3.35279 Infinity 1.049031 Infinity
27580
418 pt 1.39283 -12.03771 -5.60170 -Infinity 0.972263 -Infinity
27581
419 pt 1.90545 -13.30981 -6.90172 Infinity 0.883379 Infinity
27582
420 pt 2.79706 -11.80478 -4.35875 Infinity 0.989447 Infinity
27583
421 pt -5.13490 -20.95881 6.01156 -Infinity 0.615823 -Infinity
27584
422 pt -4.30842 -22.59383 5.54820 Infinity 0.586194 Infinity
27585
423 pt -6.38209 -20.48112 4.67462 Infinity 0.628834 Infinity
27586
424 pt 0.80652 -14.65012 6.66279 -Infinity 0.803825 -Infinity
27587
425 pt 1.28653 -15.88758 5.31767 Infinity 0.775595 Infinity
27588
426 pt 0.34537 -12.99967 5.86628 Infinity 0.886342 Infinity
27589
427 pt 2.05845 -18.14120 3.17918 -Infinity 0.715991 -Infinity
27590
428 pt 2.05714 -19.83688 4.01329 Infinity 0.662221 Infinity
27591
429 pt 0.99256 -18.20418 1.62002 Infinity 0.725207 Infinity
27592
430 pt 5.51210 -11.81957 -2.46074 -Infinity 0.958229 -Infinity
27593
431 pt 5.14302 -11.37461 -0.66161 Infinity 0.994020 Infinity
27594
432 pt 6.27712 -13.54571 -2.53961 Infinity 0.861233 Infinity
27595
433 pt 3.41914 -19.86918 -3.86378 -Infinity 0.666340 -Infinity
27596
434 pt 3.58603 -20.32871 -5.68917 Infinity 0.646084 Infinity
27597
435 pt 3.85302 -21.36548 -2.79424 Infinity 0.628605 Infinity
27598
436 pt 6.55190 -15.50131 3.81206 -Infinity 0.761630 -Infinity
27599
437 pt 7.58633 -16.40608 5.10913 Infinity 0.710718 Infinity
27600
438 pt 5.02948 -16.53620 3.38509 Infinity 0.747164 Infinity
27601
439 pt -0.79121 -18.45813 -1.21444 -Infinity 0.724180 -Infinity
27602
440 pt 0.69391 -18.89521 -2.29814 Infinity 0.707878 Infinity
27603
441 pt -2.03095 -19.88416 -1.23801 Infinity 0.679130 Infinity
27604
442 pt -2.83510 -13.97797 -2.79863 -Infinity 0.897061 -Infinity
27605
443 pt -1.49241 -13.11310 -3.80870 Infinity 0.941190 Infinity
27606
444 pt -2.12831 -15.55072 -2.02533 Infinity 0.830337 Infinity
27607
445 pt -0.17211 -10.23512 4.23726 -Infinity 1.076317 -Infinity
27608
446 pt 1.57480 -10.29570 3.51914 Infinity 1.077947 Infinity
27609
447 pt -1.26926 -9.15871 3.13785 Infinity 1.186134 Infinity
27610
448 pt -6.12880 -10.84941 -0.06946 -Infinity 1.031752 -Infinity
27611
449 pt -4.94120 -12.04282 -0.92762 Infinity 0.984534 Infinity
27612
450 pt -5.18633 -9.30527 0.47684 Infinity 1.160529 Infinity
27613
451 pt 7.76588 -7.18950 4.61041 -Infinity 1.079908 -Infinity
27614
452 pt 9.38296 -7.68425 3.76699 Infinity 1.009868 Infinity
27615
453 pt 8.12033 -6.64739 6.38567 Infinity 1.038762 Infinity
27616
454 pt 17.83889 -21.01194 -0.73844 -Infinity 0.520123 -Infinity
27617
455 pt 16.80783 -21.52339 0.76036 Infinity 0.522371 Infinity
27618
456 pt 17.74482 -19.13750 -0.95903 Infinity 0.547546 Infinity
27619
457 pt 10.07091 -19.79998 0.44173 -Infinity 0.620402 -Infinity
27620
458 pt 8.83641 -20.63467 1.60379 Infinity 0.611330 Infinity
27621
459 pt 11.72870 -19.59365 1.32503 Infinity 0.606101 Infinity
27622
460 pt 17.98756 -20.08073 -6.03317 -Infinity 0.524279 -Infinity
27623
461 pt 16.66584 -20.87587 -7.12490 Infinity 0.523381 Infinity
27624
462 pt 17.82063 -20.72971 -4.26625 Infinity 0.521318 Infinity
27625
463 pt 16.77541 -16.03418 -1.64681 -Infinity 0.609985 -Infinity
27626
464 pt 16.47149 -16.29731 -3.49328 Infinity 0.607523 Infinity
27627
465 pt 15.31656 -15.09787 -0.89439 Infinity 0.651339 Infinity
27628
466 pt 21.35337 -8.75201 2.25168 -Infinity 0.630585 -Infinity
27629
467 pt 20.93489 -10.03360 0.92750 Infinity 0.626512 Infinity
27630
468 pt 20.19563 -7.26814 2.08183 Infinity 0.676911 Infinity
27631
469 pt 20.71890 -12.57717 -1.40572 -Infinity 0.598201 -Infinity
27632
470 pt 19.86509 -11.24472 -2.43850 Infinity 0.632387 Infinity
27633
471 pt 19.53435 -14.02547 -1.14050 Infinity 0.598127 Infinity
27634
472 pt 8.75085 -8.62872 -5.08564 -Infinity 1.003213 -Infinity
27635
473 pt 7.48727 -9.63929 -4.10932 Infinity 1.008989 Infinity
27636
474 pt 7.93409 -7.92862 -6.63929 Infinity 1.036855 Infinity
27637
475 pt 13.08369 -11.32582 -4.44237 -Infinity 0.778866 -Infinity
27638
476 pt 11.55387 -10.28218 -4.81860 Infinity 0.848822 Infinity
27639
477 pt 12.89102 -12.13985 -2.74789 Infinity 0.768683 Infinity
27640
478 pt 12.69859 -8.82520 2.88448 -Infinity 0.858939 -Infinity
27641
479 pt 13.18547 -8.66096 4.70301 Infinity 0.827769 Infinity
27642
480 pt 13.06555 -7.20473 1.98423 Infinity 0.904970 Infinity
27643
481 pt 7.36721 -16.67961 -2.84939 -Infinity 0.730622 -Infinity
27644
482 pt 5.80780 -17.68138 -3.21786 Infinity 0.715305 Infinity
27645
483 pt 8.43284 -17.60927 -1.59591 Infinity 0.692864 Infinity
27646
484 pt 17.75984 -9.22630 -3.76180 -Infinity 0.709835 -Infinity
27647
485 pt 16.06501 -10.02631 -4.00392 Infinity 0.736644 Infinity
27648
486 pt 17.67783 -7.40820 -4.27057 Infinity 0.742452 Infinity
27649
487 pt 10.41893 -17.56461 -7.19964 -Infinity 0.648684 -Infinity
27650
488 pt 11.16533 -19.14737 -6.48631 Infinity 0.610616 Infinity
27651
489 pt 9.21863 -16.81335 -5.94825 Infinity 0.689511 Infinity
27652
490 pt 14.38783 -19.25402 3.15847 -Infinity 0.578257 -Infinity
27653
491 pt 15.53902 -17.75700 3.08969 Infinity 0.590409 Infinity
27654
492 pt 14.13488 -19.77329 4.95776 Infinity 0.565494 Infinity
27655
493 pt 12.70394 -13.36257 0.30636 -Infinity 0.740103 -Infinity
27656
494 pt 11.22989 -14.37821 0.91193 Infinity 0.739493 Infinity
27657
495 pt 12.80414 -11.74983 1.28620 Infinity 0.779442 Infinity
27658
496 pt -21.21177 -2.74351 -5.23845 -Infinity 0.728833 -Infinity
27659
497 pt -20.62476 -1.83660 -6.78894 Infinity 0.743708 Infinity
27660
498 pt -22.97511 -3.36933 -5.50311 Infinity 0.671032 Infinity
27661
499 pt -9.82237 2.07310 -3.93727 -Infinity 1.648124 -Infinity
27662
500 pt -11.01958 2.75677 -5.22969 Infinity 1.426809 Infinity
27663
501 pt -8.05345 2.54883 -4.40169 Infinity 1.960491 Infinity
27664
502 pt -7.84172 2.66254 6.20741 -Infinity 1.551362 -Infinity
27665
503 pt -6.93557 2.18115 4.62052 Infinity 1.858476 Infinity
27666
504 pt -9.69657 2.77738 5.86477 Infinity 1.396092 Infinity
27667
505 pt -15.02455 -3.39123 -0.90351 -Infinity 1.000992 -Infinity
27668
506 pt -15.72489 -4.71163 0.25284 Infinity 0.926472 Infinity
27669
507 pt -15.44506 -3.83182 -2.69239 Infinity 0.961545 Infinity
27670
508 pt -15.66201 5.16400 -2.15398 -Infinity 1.054373 -Infinity
27671
509 pt -17.37758 4.68696 -2.78668 Infinity 0.947009 Infinity
27672
510 pt -14.89414 3.69606 -1.24480 Infinity 1.121107 Infinity
27673
511 pt -13.07786 1.29957 0.05321 -Infinity 1.261679 -Infinity
27674
512 pt -11.72323 1.54477 -1.24136 Infinity 1.423239 Infinity
27675
513 pt -13.91130 -0.37508 -0.21508 Infinity 1.154148 Infinity
27676
514 pt -13.04264 2.70866 5.09844 -Infinity 1.150960 -Infinity
27677
515 pt -13.00606 2.23875 3.26844 Infinity 1.213940 Infinity
27678
516 pt -14.21246 1.54884 6.02441 Infinity 1.034044 Infinity
27679
517 pt -20.06184 3.36761 -3.83543 -Infinity 0.814015 -Infinity
27680
518 pt -21.27056 3.45177 -5.28559 Infinity 0.758337 Infinity
27681
519 pt -20.58931 1.99070 -2.65350 Infinity 0.795690 Infinity
27682
520 pt -10.48387 -4.41559 1.33638 -Infinity 1.241293 -Infinity
27683
521 pt -12.10646 -4.03132 0.44721 Infinity 1.156882 Infinity
27684
522 pt -9.03437 -3.76456 0.31356 Infinity 1.427906 Infinity
27685
523 pt -13.47419 4.66649 -6.82695 -Infinity 1.131340 -Infinity
27686
524 pt -14.38481 4.95985 -5.19729 Infinity 1.107337 Infinity
27687
525 pt -14.72486 4.26204 -8.18463 Infinity 1.010538 Infinity
27688
526 pt -16.69779 -5.62431 -5.35649 -Infinity 0.841327 -Infinity
27689
527 pt -18.39319 -4.79023 -5.38777 Infinity 0.795234 Infinity
27690
528 pt -15.56953 -4.80834 -6.63409 Infinity 0.887676 Infinity
27691
529 pt -10.19211 -6.99024 5.65677 -Infinity 1.014432 -Infinity
27692
530 pt -10.38533 -6.03808 4.03593 Infinity 1.094498 Infinity
27693
531 pt -8.51457 -6.58843 6.42844 Infinity 1.073136 Infinity
27694
532 pt 5.52738 2.65015 -4.06068 -Infinity 2.354892 -Infinity
27695
533 pt 6.35176 3.17833 -2.44436 Infinity 2.303538 Infinity
27696
534 pt 5.39333 4.13913 -5.21655 Infinity 2.230340 Infinity
27697
535 pt -1.60005 -3.19208 4.38460 -Infinity 1.816033 -Infinity
27698
536 pt -1.72756 -1.30797 4.45486 Infinity 2.126694 Infinity
27699
537 pt 0.21918 -3.69940 4.32061 Infinity 1.743742 Infinity
27700
538 pt -4.89818 3.24662 -4.94570 -Infinity 2.767450 -Infinity
27701
539 pt -5.04743 5.07094 -5.41544 Infinity 2.483973 Infinity
27702
540 pt -3.65257 3.05762 -3.53723 Infinity 4.120572 Infinity
27703
541 pt 0.58719 1.91585 5.69950 -Infinity 2.237364 -Infinity
27704
542 pt 0.32006 3.74586 6.08778 Infinity 2.193983 Infinity
27705
543 pt 2.28292 1.68169 4.89903 Infinity 2.306761 Infinity
27706
544 pt -3.04632 -6.84229 1.07758 -Infinity 1.460609 -Infinity
27707
545 pt -2.80690 -6.13151 -0.65694 Infinity 1.599130 Infinity
27708
546 pt -2.69084 -5.50326 2.36277 Infinity 1.604926 Infinity
27709
547 pt -7.05565 -2.18749 -1.77844 -Infinity 1.862884 -Infinity
27710
548 pt -7.91465 -1.08963 -3.05434 Infinity 1.817270 Infinity
27711
549 pt -5.46263 -2.88571 -2.51725 Infinity 1.961442 Infinity
27712
550 pt -2.43542 -4.22656 -3.42351 -Infinity 1.903406 -Infinity
27713
551 pt -2.14850 -5.47045 -4.81687 Infinity 1.603024 Infinity
27714
552 pt -1.03099 -2.96230 -3.40723 Infinity 2.267617 Infinity
27715
553 pt -5.62530 6.77308 1.45769 -Infinity 2.445349 -Infinity
27716
554 pt -6.71580 7.49061 0.09130 Infinity 2.158395 Infinity
27717
555 pt -5.83183 4.89537 1.50909 Infinity 2.683013 Infinity
27718
556 pt -5.66806 1.48066 1.69980 -Infinity 2.661949 -Infinity
27719
557 pt -3.99859 1.86199 0.90071 Infinity 3.922918 Infinity
27720
558 pt -6.52073 0.08948 0.74657 Infinity 2.297659 Infinity
27721
559 pt 1.94016 -1.34691 -4.30056 -Infinity 2.431647 -Infinity
27722
560 pt 3.24979 -0.00532 -4.06377 Infinity 2.589060 Infinity
27723
561 pt 2.26635 -2.26864 -5.91768 Infinity 1.939765 Infinity
27724
562 pt 5.34755 1.04921 3.70823 -Infinity 1.999964 -Infinity
27725
563 pt 5.98965 2.14262 2.30707 Infinity 2.152797 Infinity
27726
564 pt 6.65084 0.94150 5.07238 Infinity 1.629310 Infinity
27727
565 pt 3.61036 -3.88119 4.41976 -Infinity 1.561163 -Infinity
27728
566 pt 4.99803 -5.15307 4.25309 Infinity 1.364839 Infinity
27729
567 pt 4.23670 -2.18743 3.86303 Infinity 1.765820 Infinity
27730
568 pt 16.55097 -4.56507 -5.66570 -Infinity 0.820228 -Infinity
27731
569 pt 16.10202 -5.29853 -7.34841 Infinity 0.803545 Infinity
27732
570 pt 14.97082 -4.12485 -4.72741 Infinity 0.902503 Infinity
27733
571 pt 12.32977 3.20161 -0.44966 -Infinity 1.247974 -Infinity
27734
572 pt 12.49385 2.07325 1.05731 Infinity 1.208314 Infinity
27735
573 pt 14.03885 3.51420 -1.19289 Infinity 1.102350 Infinity
27736
574 pt 12.85311 0.36469 3.80632 -Infinity 1.096548 -Infinity
27737
575 pt 11.46513 0.47489 5.08399 Infinity 1.157084 Infinity
27738
576 pt 14.32255 1.40541 4.37967 Infinity 1.003295 Infinity
27739
577 pt 16.39471 3.96916 5.44335 -Infinity 0.883917 -Infinity
27740
578 pt 15.99966 5.80753 5.25526 Infinity 0.899514 Infinity
27741
579 pt 16.08588 3.43703 7.23011 Infinity 0.862708 Infinity
27742
580 pt 21.27508 3.59124 3.64663 -Infinity 0.718154 -Infinity
27743
581 pt 19.48454 3.60089 4.25074 Infinity 0.773795 Infinity
27744
582 pt 21.52872 2.15275 2.44769 Infinity 0.715564 Infinity
27745
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27746
584 pt 18.23168 2.11593 -1.20590 Infinity 0.851509 Infinity
27747
585 pt 17.41559 3.28798 -3.94215 Infinity 0.882076 Infinity
27748
586 pt 18.49155 -4.12955 2.42115 -Infinity 0.767811 -Infinity
27749
587 pt 16.73926 -4.20485 1.71768 Infinity 0.834576 Infinity
27750
588 pt 18.41252 -4.09155 4.30884 Infinity 0.756435 Infinity
27751
589 pt 7.53357 4.48701 0.40330 -Infinity 1.972222 -Infinity
27752
590 pt 7.59405 6.06609 1.43959 Infinity 1.836260 Infinity
27753
591 pt 9.29020 3.97394 -0.06796 Infinity 1.635692 Infinity
27754
592 pt 20.65249 -0.46880 -0.62064 -Infinity 0.742019 -Infinity
27755
593 pt 21.10071 -1.36664 -2.22191 Infinity 0.720147 Infinity
27756
594 pt 19.94428 -1.70627 0.61959 Infinity 0.754227 Infinity
27757
595 pt 13.52227 -4.06899 1.02423 -Infinity 0.989307 -Infinity
27758
596 pt 13.09220 -2.48997 1.96911 Infinity 1.049697 Infinity
27759
597 pt 12.74060 -4.00810 -0.69517 Infinity 1.043355 Infinity
27760
598 pt 9.09711 -0.64342 -6.27013 -Infinity 1.359425 -Infinity
27761
599 pt 7.84480 0.56109 -5.52719 Infinity 1.602258 Infinity
27762
600 pt 9.85211 0.11296 -7.82864 Infinity 1.241343 Infinity
27763
601 pt 11.56979 -4.32770 -3.74550 -Infinity 1.084056 -Infinity
27764
602 pt 10.70353 -2.87588 -4.58981 Infinity 1.186970 Infinity
27765
603 pt 10.59355 -5.91474 -4.06067 Infinity 1.066276 Infinity
27766
604 pt -14.37489 14.79256 2.86221 -Infinity 0.877008 -Infinity
27767
605 pt -15.47905 14.28179 1.41617 Infinity 0.862849 Infinity
27768
606 pt -15.30356 14.53327 4.48745 Infinity 0.832980 Infinity
27769
607 pt -12.43164 7.91277 5.06406 -Infinity 1.139231 -Infinity
27770
608 pt -12.77931 6.05652 5.13127 Infinity 1.150784 Infinity
27771
609 pt -13.04589 8.61058 3.41882 Infinity 1.127986 Infinity
27772
610 pt -20.46172 8.37994 1.57158 -Infinity 0.775886 -Infinity
27773
611 pt -21.62527 8.42576 0.08325 Infinity 0.739884 Infinity
27774
612 pt -20.40127 6.62563 2.27143 Infinity 0.787309 Infinity
27775
613 pt -10.86252 18.03316 4.58924 -Infinity 0.857167 -Infinity
27776
614 pt -11.65105 19.20654 5.84322 Infinity 0.784162 Infinity
27777
615 pt -12.20393 16.96664 3.79287 Infinity 0.868160 Infinity
27778
616 pt -7.62740 9.69343 5.20697 -Infinity 1.414694 -Infinity
27779
617 pt -9.43537 9.14434 5.23531 Infinity 1.305429 Infinity
27780
618 pt -6.70485 8.75719 3.84924 Infinity 1.687457 Infinity
27781
619 pt -7.64291 14.62146 6.82715 -Infinity 1.041512 -Infinity
27782
620 pt -8.81645 15.74989 5.86771 Infinity 0.981204 Infinity
27783
621 pt -7.64060 12.90156 6.04421 Infinity 1.163331 Infinity
27784
622 pt -20.78294 18.64520 -0.96947 -Infinity 0.634245 -Infinity
27785
623 pt -22.28421 19.79280 -0.95368 Infinity 0.590072 Infinity
27786
624 pt -20.09737 18.47898 0.78365 Infinity 0.649066 Infinity
27787
625 pt -18.03111 12.78641 -0.37097 -Infinity 0.809661 -Infinity
27788
626 pt -18.79750 11.19561 0.30214 Infinity 0.807922 Infinity
27789
627 pt -19.39698 14.04201 -0.73004 Infinity 0.742390 Infinity
27790
628 pt -19.67270 18.34853 4.18052 -Infinity 0.646961 -Infinity
27791
629 pt -19.07920 19.95699 4.97529 Infinity 0.628285 Infinity
27792
630 pt -18.93723 16.87666 5.10988 Infinity 0.680183 Infinity
27793
631 pt -7.81312 14.55524 -7.57306 -Infinity 1.087823 -Infinity
27794
632 pt -7.71575 15.21060 -5.80329 Infinity 1.104166 Infinity
27795
633 pt -9.55636 13.90901 -7.91155 Infinity 1.043048 Infinity
27796
634 pt -12.91455 19.83861 -2.99529 -Infinity 0.779141 -Infinity
27797
635 pt -14.66099 20.20465 -3.61740 Infinity 0.728319 Infinity
27798
636 pt -12.10812 21.44061 -2.40003 Infinity 0.749939 Infinity
27799
637 pt -8.87659 13.43908 0.41735 -Infinity 1.227562 -Infinity
27800
638 pt -10.53233 13.62314 1.30937 Infinity 1.111819 Infinity
27801
639 pt -8.81468 11.76606 -0.45915 Infinity 1.368881 Infinity
27802
640 pt -13.92409 9.28421 0.20929 -Infinity 1.097600 -Infinity
27803
641 pt -15.16855 10.67929 -0.06662 Infinity 0.983371 Infinity
27804
642 pt -14.55155 7.70597 -0.61928 Infinity 1.098355 Infinity
27805
643 pt -8.63770 8.92541 -2.02872 -Infinity 1.640232 -Infinity
27806
644 pt -10.49534 8.60677 -2.16547 Infinity 1.430380 Infinity
27807
645 pt -7.82587 8.65766 -3.71404 Infinity 1.724469 Infinity
27808
646 pt -8.36051 17.33965 -2.88365 -Infinity 1.002557 -Infinity
27809
647 pt -8.42220 15.95092 -1.60353 Infinity 1.087483 Infinity
27810
648 pt -10.04041 18.20164 -2.96090 Infinity 0.911081 Infinity
27811
649 pt -17.64136 21.10222 -4.49208 -Infinity 0.647169 -Infinity
27812
650 pt -17.92011 22.97116 -4.47104 Infinity 0.609245 Infinity
27813
651 pt -18.78689 20.27925 -3.23447 Infinity 0.644440 Infinity
27814
652 pt -14.54627 14.75834 -4.13209 -Infinity 0.880064 -Infinity
27815
653 pt -14.06085 16.47715 -3.51474 Infinity 0.848728 Infinity
27816
654 pt -15.86952 14.03038 -2.99624 Infinity 0.858088 Infinity
27817
655 pt -1.04546 8.94452 2.24418 -Infinity 2.482965 -Infinity
27818
656 pt -2.65252 8.05182 1.80658 Infinity 2.723658 Infinity
27819
657 pt -0.44641 8.36959 3.94173 Infinity 2.277347 Infinity
27820
658 pt 5.16509 13.32438 6.05086 -Infinity 1.201584 -Infinity
27821
659 pt 7.05451 13.29982 6.07488 Infinity 1.126536 Infinity
27822
660 pt 4.50189 12.01579 7.24201 Infinity 1.244993 Infinity
27823
661 pt 1.96912 11.73594 -0.97361 -Infinity 1.882740 -Infinity
27824
662 pt 1.09759 10.57932 0.24036 Infinity 2.188309 Infinity
27825
663 pt 3.83434 11.67275 -0.67691 Infinity 1.753818 Infinity
27826
664 pt 0.76236 12.80547 -5.83944 -Infinity 1.531597 -Infinity
27827
665 pt 1.04280 12.24137 -4.05780 Infinity 1.725430 Infinity
27828
666 pt 2.40940 12.81193 -6.76587 Infinity 1.429366 Infinity
27829
667 pt 0.15045 17.50832 -3.76900 -Infinity 1.126812 -Infinity
27830
668 pt 1.73839 17.89871 -2.82183 Infinity 1.096994 Infinity
27831
669 pt 0.21619 15.73010 -4.40513 Infinity 1.268188 Infinity
27832
670 pt -3.54351 13.76947 1.45807 -Infinity 1.456685 -Infinity
27833
671 pt -2.76163 12.05159 1.55087 Infinity 1.734585 Infinity
27834
672 pt -5.38997 13.60335 1.09192 Infinity 1.402756 Infinity
27835
673 pt 2.22952 15.85316 2.70725 -Infinity 1.218763 -Infinity
27836
674 pt 1.35279 14.64549 1.54797 Infinity 1.387840 Infinity
27837
675 pt 3.30635 14.88966 3.92510 Infinity 1.237486 Infinity
27838
676 pt 2.11675 20.02869 5.67851 -Infinity 0.890239 -Infinity
27839
677 pt 1.23600 19.78645 7.33280 Infinity 0.872140 Infinity
27840
678 pt 1.84614 18.50721 4.59089 Infinity 0.991327 Infinity
27841
679 pt -6.69650 19.79345 -7.29386 -Infinity 0.867692 -Infinity
27842
680 pt -6.97566 19.52570 -5.44414 Infinity 0.900820 Infinity
27843
681 pt -7.32300 18.28916 -8.25076 Infinity 0.902248 Infinity
27844
682 pt -3.80634 20.07666 -1.62086 -Infinity 0.949858 -Infinity
27845
683 pt -2.40324 18.98149 -2.25566 Infinity 1.027340 Infinity
27846
684 pt -5.40967 19.07809 -1.56369 Infinity 0.982830 Infinity
27847
685 pt 7.18684 20.32980 4.21065 -Infinity 0.835634 -Infinity
27848
686 pt 5.40854 20.09763 4.80633 Infinity 0.865548 Infinity
27849
687 pt 7.75819 18.77141 3.30731 Infinity 0.898656 Infinity
27850
688 pt 4.39482 18.66949 -1.00442 -Infinity 1.010295 -Infinity
27851
689 pt 6.23177 18.23129 -0.93606 Infinity 0.994683 Infinity
27852
690 pt 3.49553 17.84577 0.43912 Infinity 1.075766 Infinity
27853
691 pt -5.81876 7.99781 -6.42793 -Infinity 1.826805 -Infinity
27854
692 pt -4.63188 9.19518 -7.28155 Infinity 1.708519 Infinity
27855
693 pt -7.52198 8.11250 -7.23846 Infinity 1.542310 Infinity
27856
694 pt 5.30558 7.12032 -6.74311 -Infinity 1.824660 -Infinity
27857
695 pt 6.93611 7.44341 -7.64203 Infinity 1.511995 Infinity
27858
696 pt 4.65080 8.73983 -6.02234 Infinity 1.837105 Infinity
27859
697 pt -3.27421 16.92807 5.59097 -Infinity 1.052371 -Infinity
27860
698 pt -2.79936 16.12480 3.94770 Infinity 1.164461 Infinity
27861
699 pt -4.83245 16.10227 6.26994 Infinity 1.054048 Infinity
27862
700 pt 10.51250 12.75893 5.91031 -Infinity 1.006243 -Infinity
27863
701 pt 11.46403 14.06130 4.92569 Infinity 0.943930 Infinity
27864
702 pt 11.55859 12.18784 7.37680 Infinity 0.940163 Infinity
27865
703 pt 21.02073 11.18789 5.73530 -Infinity 0.672435 -Infinity
27866
704 pt 21.66297 9.94320 4.46670 Infinity 0.675369 Infinity
27867
705 pt 20.70567 10.30881 7.37817 Infinity 0.672889 Infinity
27868
706 pt 11.20937 10.51556 -3.38202 -Infinity 1.166317 -Infinity
27869
707 pt 11.48667 8.96436 -4.42507 Infinity 1.186712 Infinity
27870
708 pt 12.62683 10.70718 -2.14705 Infinity 1.073965 Infinity
27871
709 pt 16.06061 9.91997 4.83481 -Infinity 0.857910 -Infinity
27872
710 pt 17.84160 10.54770 4.90630 Infinity 0.781419 Infinity
27873
711 pt 15.21809 10.22139 6.49925 Infinity 0.858758 Infinity
27874
712 pt 17.75792 17.66393 4.65602 -Infinity 0.674470 -Infinity
27875
713 pt 17.42672 18.04202 6.47767 Infinity 0.660999 Infinity
27876
714 pt 19.60913 17.81332 4.30706 Infinity 0.635371 Infinity
27877
715 pt 14.98491 17.10311 -3.44561 -Infinity 0.775113 -Infinity
27878
716 pt 14.76779 16.76149 -1.59974 Infinity 0.795104 Infinity
27879
717 pt 16.74634 16.65917 -3.96652 Infinity 0.734342 Infinity
27880
718 pt 14.03992 15.74712 1.58747 -Infinity 0.838110 -Infinity
27881
719 pt 15.34080 16.47475 2.74908 Infinity 0.771730 Infinity
27882
720 pt 14.54355 13.99344 1.09552 Infinity 0.871182 Infinity
27883
721 pt 18.99371 8.50352 -2.41118 -Infinity 0.795409 -Infinity
27884
722 pt 19.44914 9.04610 -4.16311 Infinity 0.766247 Infinity
27885
723 pt 18.42886 6.70035 -2.43589 Infinity 0.833186 Infinity
27886
724 pt 8.85096 16.48082 0.99141 -Infinity 0.999164 -Infinity
27887
725 pt 10.73545 16.40646 1.11062 Infinity 0.933774 Infinity
27888
726 pt 8.17348 14.75557 0.62316 Infinity 1.127975 Infinity
27889
727 pt 7.14384 11.58928 -0.29710 -Infinity 1.454058 -Infinity
27890
728 pt 7.40500 10.45316 1.19021 Infinity 1.506720 Infinity
27891
729 pt 8.46421 11.23449 -1.60162 Infinity 1.367686 Infinity
27892
730 pt 19.81225 16.06568 -5.07812 -Infinity 0.662893 -Infinity
27893
731 pt 20.03935 16.89811 -6.75935 Infinity 0.637613 Infinity
27894
732 pt 20.82778 16.98519 -3.77648 Infinity 0.632486 Infinity
27895
733 pt 11.45762 14.85065 -6.33230 -Infinity 0.930651 -Infinity
27896
734 pt 11.11920 13.25385 -5.38005 Infinity 1.022346 Infinity
27897
735 pt 12.79666 15.84401 -5.44277 Infinity 0.862479 Infinity
27898
736 pt 12.05187 21.30957 -4.22414 -Infinity 0.730361 -Infinity
27899
737 pt 11.29607 21.78185 -2.55777 Infinity 0.737353 Infinity
27900
738 pt 13.19790 19.82401 -3.99883 Infinity 0.747613 Infinity
27901
739 pt 8.22932 8.58297 3.72200 -Infinity 1.445874 -Infinity
27902
740 pt 9.25768 10.05862 4.30166 Infinity 1.247997 Infinity
27903
741 pt 7.92216 7.41734 5.17735 Infinity 1.440295 Infinity
27904
742 pt 15.15189 10.95722 -0.04347 -Infinity 0.926285 -Infinity
27905
743 pt 15.25738 10.37300 1.75059 Infinity 0.923038 Infinity
27906
744 pt 16.58025 10.21532 -1.03363 Infinity 0.875687 Infinity
27907
745 pt -17.86368 -6.72739 21.14778 -Infinity 0.533444 -Infinity
27908
746 pt -17.49532 -7.28540 22.91526 Infinity 0.510920 Infinity
27909
747 pt -17.77189 -8.21398 19.98473 Infinity 0.539698 Infinity
27910
748 pt -17.83778 -10.42268 17.78669 -Infinity 0.548713 -Infinity
27911
749 pt -17.79935 -10.25218 15.90506 Infinity 0.574165 Infinity
27912
750 pt -16.96421 -12.01990 18.29347 Infinity 0.537021 Infinity
27913
751 pt -13.40369 -15.47949 10.67090 -Infinity 0.619867 -Infinity
27914
752 pt -13.53830 -13.67009 11.19913 Infinity 0.644370 Infinity
27915
753 pt -12.62791 -15.57852 8.95060 Infinity 0.646099 Infinity
27916
754 pt -9.03126 -8.80731 21.17835 -Infinity 0.595738 -Infinity
27917
755 pt -8.72984 -7.03535 21.76174 Infinity 0.603939 Infinity
27918
756 pt -7.41888 -9.78768 21.27922 Infinity 0.593597 Infinity
27919
757 pt -10.10062 -18.37840 13.55775 -Infinity 0.569885 -Infinity
27920
758 pt -11.10068 -17.13022 12.55127 Infinity 0.593676 Infinity
27921
759 pt -9.06126 -19.44148 12.39129 Infinity 0.571164 Infinity
27922
760 pt -7.73996 -19.83491 18.06085 -Infinity 0.514397 -Infinity
27923
761 pt -8.67690 -21.45781 18.30453 Infinity 0.489164 Infinity
27924
762 pt -8.39471 -18.95314 16.52304 Infinity 0.539322 Infinity
27925
763 pt -18.52990 -9.50267 12.70863 -Infinity 0.612082 -Infinity
27926
764 pt -16.76595 -9.99741 12.24518 Infinity 0.640635 Infinity
27927
765 pt -18.70049 -7.62252 12.62493 Infinity 0.631765 Infinity
27928
766 pt -12.62201 -21.03710 7.79150 -Infinity 0.555095 -Infinity
27929
767 pt -11.96667 -19.32979 7.31540 Infinity 0.593845 Infinity
27930
768 pt -14.49802 -21.07771 7.56796 Infinity 0.540140 Infinity
27931
769 pt -13.47259 -10.58726 12.60294 -Infinity 0.679598 -Infinity
27932
770 pt -12.33097 -9.39952 11.67717 Infinity 0.738547 Infinity
27933
771 pt -12.78420 -10.90335 14.33421 Infinity 0.655011 Infinity
27934
772 pt -13.66249 -21.06409 16.07794 -Infinity 0.488188 -Infinity
27935
773 pt -12.58927 -22.13041 17.21029 Infinity 0.473619 Infinity
27936
774 pt -12.56384 -19.87414 15.10426 Infinity 0.517252 Infinity
27937
775 pt -11.49719 -11.71176 17.27747 -Infinity 0.608768 -Infinity
27938
776 pt -11.11699 -10.47762 18.65711 Infinity 0.605170 Infinity
27939
777 pt -9.88753 -12.49066 16.66642 Infinity 0.622464 Infinity
27940
778 pt 1.81058 -6.67090 19.22979 -Infinity 0.698653 -Infinity
27941
779 pt 1.31045 -7.67128 20.75300 Infinity 0.648849 Infinity
27942
780 pt 1.02900 -7.43530 17.68839 Infinity 0.732248 Infinity
27943
781 pt 7.20435 -8.05429 13.79590 -Infinity 0.782225 -Infinity
27944
782 pt 6.62345 -6.57519 14.81859 Infinity 0.791363 Infinity
27945
783 pt 5.73907 -8.78191 12.85008 Infinity 0.812102 Infinity
27946
784 pt 7.76603 -14.70598 13.02330 -Infinity 0.650647 -Infinity
27947
785 pt 6.99489 -13.08571 13.61586 Infinity 0.680548 Infinity
27948
786 pt 6.55056 -15.60597 11.89028 Infinity 0.659197 Infinity
27949
787 pt 0.62301 -19.93929 12.48493 -Infinity 0.587882 -Infinity
27950
788 pt -0.84936 -18.80562 12.82840 Infinity 0.606223 Infinity
27951
789 pt 0.04430 -21.44388 11.49884 Infinity 0.570329 Infinity
27952
790 pt -6.70181 -12.71456 15.81551 -Infinity 0.658955 -Infinity
27953
791 pt -6.56356 -10.89037 15.34193 Infinity 0.704447 Infinity
27954
792 pt -5.33477 -13.15273 17.04445 Infinity 0.636258 Infinity
27955
793 pt 4.18349 -17.03332 10.04952 -Infinity 0.668047 -Infinity
27956
794 pt 3.04780 -18.20175 11.00661 Infinity 0.634516 Infinity
27957
795 pt 3.15166 -15.97281 8.87406 Infinity 0.717379 Infinity
27958
796 pt -6.54507 -7.68305 14.28459 -Infinity 0.800702 -Infinity
27959
797 pt -5.80652 -8.26282 12.64463 Infinity 0.847131 Infinity
27960
798 pt -5.50132 -6.27068 14.98236 Infinity 0.820624 Infinity
27961
799 pt 1.50512 -20.28183 17.58942 -Infinity 0.526271 -Infinity
27962
800 pt -0.12634 -21.20715 17.82002 Infinity 0.512708 Infinity
27963
801 pt 1.78200 -19.93944 15.75171 Infinity 0.550704 Infinity
27964
802 pt 3.08732 -9.67061 11.44632 -Infinity 0.858268 -Infinity
27965
803 pt 2.31976 -10.08097 9.76897 Infinity 0.902334 Infinity
27966
804 pt 1.76467 -8.94634 12.58522 Infinity 0.854468 Infinity
27967
805 pt -3.70745 -16.64423 13.77095 -Infinity 0.631991 -Infinity
27968
806 pt -5.19638 -15.55738 14.18680 Infinity 0.641534 Infinity
27969
807 pt -3.57428 -16.84156 11.89628 Infinity 0.655384 Infinity
27970
808 pt -3.06808 -17.24963 8.86368 -Infinity 0.688116 -Infinity
27971
809 pt -1.70212 -16.29011 7.97794 Infinity 0.730352 Infinity
27972
810 pt -3.78968 -18.54569 7.69296 Infinity 0.665187 Infinity
27973
811 pt -0.63315 -7.83310 14.61168 -Infinity 0.823179 -Infinity
27974
812 pt -1.75241 -8.84520 13.47414 Infinity 0.833081 Infinity
27975
813 pt -1.42401 -6.14832 14.93899 Infinity 0.851410 Infinity
27976
814 pt -2.77862 -14.83546 18.63298 -Infinity 0.590525 -Infinity
27977
815 pt -2.74440 -15.72081 16.96384 Infinity 0.602856 Infinity
27978
816 pt -1.77459 -15.82401 19.89225 Infinity 0.558942 Infinity
27979
817 pt 5.72332 -20.72128 20.64063 -Infinity 0.481536 -Infinity
27980
818 pt 5.11329 -22.10290 21.77643 Infinity 0.458743 Infinity
27981
819 pt 4.47252 -20.44877 19.25056 Infinity 0.501409 Infinity
27982
820 pt -3.87571 -9.25132 10.15275 -Infinity 0.919676 -Infinity
27983
821 pt -3.37925 -10.70206 9.04824 Infinity 0.900735 Infinity
27984
822 pt -4.33158 -7.76624 9.07675 Infinity 1.018607 Infinity
27985
823 pt 10.34835 -9.49958 17.59388 -Infinity 0.632416 -Infinity
27986
824 pt 9.30095 -9.02091 16.09559 Infinity 0.680772 Infinity
27987
825 pt 9.22201 -10.11823 18.97941 Infinity 0.610394 Infinity
27988
826 pt 15.16747 -9.43814 12.28268 -Infinity 0.655164 -Infinity
27989
827 pt 14.65660 -7.94000 13.31498 Infinity 0.668838 Infinity
27990
828 pt 16.83833 -10.08106 12.88760 Infinity 0.611168 Infinity
27991
829 pt 13.85189 -13.16258 17.73511 -Infinity 0.550901 -Infinity
27992
830 pt 13.83043 -14.08908 16.08823 Infinity 0.560221 Infinity
27993
831 pt 12.48819 -11.85440 17.74091 Infinity 0.578811 Infinity
27994
832 pt 19.65289 -11.14101 14.31440 -Infinity 0.544626 -Infinity
27995
833 pt 19.20179 -10.54846 16.05119 Infinity 0.538032 Infinity
27996
834 pt 21.35989 -10.47962 13.84561 Infinity 0.532899 Infinity
27997
835 pt 13.63111 -19.83527 8.24223 -Infinity 0.552316 -Infinity
27998
836 pt 14.68380 -18.57292 9.17464 Infinity 0.555137 Infinity
27999
837 pt 11.82782 -19.27034 8.23456 Infinity 0.578476 Infinity
28000
838 pt 12.96203 -14.11222 12.55143 -Infinity 0.611982 -Infinity
28001
839 pt 11.07580 -14.21069 12.49222 Infinity 0.633400 Infinity
28002
840 pt 13.51034 -12.32834 12.25448 Infinity 0.637219 Infinity
28003
841 pt 20.72502 -13.85279 9.48199 -Infinity 0.542522 -Infinity
28004
842 pt 20.72054 -12.68173 10.96512 Infinity 0.544514 Infinity
28005
843 pt 21.86268 -13.16540 8.13875 Infinity 0.542687 Infinity
28006
844 pt 13.58068 -7.55220 7.80552 -Infinity 0.796215 -Infinity
28007
845 pt 11.96339 -6.70452 8.29220 Infinity 0.853486 Infinity
28008
846 pt 14.27593 -8.48667 9.29363 Infinity 0.734634 Infinity
28009
847 pt 17.00850 -9.18743 18.65708 -Infinity 0.544990 -Infinity
28010
848 pt 16.09018 -10.81678 18.38692 Infinity 0.544184 Infinity
28011
849 pt 16.13604 -8.18694 20.00204 Infinity 0.544867 Infinity
28012
850 pt 10.69447 -18.87820 14.87487 -Infinity 0.536953 -Infinity
28013
851 pt 12.18823 -18.69704 13.73166 Infinity 0.539212 Infinity
28014
852 pt 9.42891 -17.53228 14.47749 Infinity 0.569330 Infinity
28015
853 pt 8.54038 -18.70955 7.59685 -Infinity 0.623917 -Infinity
28016
854 pt 8.14829 -20.18494 6.48306 Infinity 0.604455 Infinity
28017
855 pt 7.01131 -18.26233 8.61322 Infinity 0.636962 Infinity
28018
856 pt 16.92279 -16.89999 10.87390 -Infinity 0.542463 -Infinity
28019
857 pt 18.33713 -15.85176 10.18692 Infinity 0.544520 Infinity
28020
858 pt 15.60623 -15.77013 11.62300 Infinity 0.566020 Infinity
28021
859 pt -14.35787 1.01060 18.28952 -Infinity 0.668878 -Infinity
28022
860 pt -12.58030 0.63087 18.80636 Infinity 0.682943 Infinity
28023
861 pt -15.21830 -0.58864 17.76687 Infinity 0.660222 Infinity
28024
862 pt -10.71733 -4.55710 15.61761 -Infinity 0.755741 -Infinity
28025
863 pt -9.38838 -5.84330 15.22949 Infinity 0.768989 Infinity
28026
864 pt -10.05018 -3.32275 16.88345 Infinity 0.745496 Infinity
28027
865 pt -18.95548 4.15385 8.42966 -Infinity 0.773319 -Infinity
28028
866 pt -17.93012 2.58160 8.64813 Infinity 0.803878 Infinity
28029
867 pt -19.87396 4.08392 6.77964 Infinity 0.768220 Infinity
28030
868 pt -7.52670 5.20022 16.38179 -Infinity 0.846982 -Infinity
28031
869 pt -8.84968 6.54781 16.45102 Infinity 0.814787 Infinity
28032
870 pt -7.22662 4.52079 18.11943 Infinity 0.785656 Infinity
28033
871 pt -19.46897 -4.41128 13.56381 -Infinity 0.635014 -Infinity
28034
872 pt -17.87502 -3.87704 14.42694 Infinity 0.655891 Infinity
28035
873 pt -20.75023 -4.91302 14.85907 Infinity 0.591006 Infinity
28036
874 pt -15.63460 -3.93400 17.04006 -Infinity 0.646915 -Infinity
28037
875 pt -16.14148 -4.92800 18.56521 Infinity 0.604363 Infinity
28038
876 pt -13.86075 -4.37498 16.56041 Infinity 0.681527 Infinity
28039
877 pt -15.93707 -0.20604 8.36099 -Infinity 0.869645 -Infinity
28040
878 pt -14.57889 -0.79264 9.53671 Infinity 0.884558 Infinity
28041
879 pt -17.17813 -1.60377 8.08316 Infinity 0.814996 Infinity
28042
880 pt -14.77929 5.29641 15.34940 -Infinity 0.734046 -Infinity
28043
881 pt -14.78921 3.83309 16.54508 Infinity 0.706278 Infinity
28044
882 pt -13.89403 4.80218 13.75468 Infinity 0.800681 Infinity
28045
883 pt -19.13113 -4.29164 8.40808 -Infinity 0.718956 -Infinity
28046
884 pt -20.80995 -4.58441 7.59143 Infinity 0.682118 Infinity
28047
885 pt -19.34241 -4.24397 10.28536 Infinity 0.687401 Infinity
28048
886 pt -12.00020 -1.54853 11.49486 -Infinity 0.901957 -Infinity
28049
887 pt -10.32771 -1.52532 10.61550 Infinity 0.996672 Infinity
28050
888 pt -11.89258 -2.65036 13.02635 Infinity 0.836541 Infinity
28051
889 pt -9.44113 -1.08730 19.32085 -Infinity 0.703444 -Infinity
28052
890 pt -9.11076 -2.31293 20.72076 Infinity 0.662261 Infinity
28053
891 pt -8.28776 0.39908 19.49829 Infinity 0.719923 Infinity
28054
892 pt -18.77413 7.27243 12.60861 -Infinity 0.693383 -Infinity
28055
893 pt -17.42929 6.60546 13.75649 Infinity 0.705957 Infinity
28056
894 pt -18.91657 6.15792 11.08919 Infinity 0.721970 Infinity
28057
895 pt -12.53797 3.70250 11.02413 -Infinity 0.940057 -Infinity
28058
896 pt -12.15385 1.91862 11.51533 Infinity 0.930891 Infinity
28059
897 pt -13.21790 3.73908 9.26134 Infinity 0.979988 Infinity
28060
898 pt 5.45113 -4.11504 16.61275 -Infinity 0.790728 -Infinity
28061
899 pt 4.26700 -4.96271 17.81705 Infinity 0.750471 Infinity
28062
900 pt 4.50980 -2.82031 15.60845 Infinity 0.859942 Infinity
28063
901 pt 0.10408 2.35483 19.91382 -Infinity 0.759711 -Infinity
28064
902 pt -0.78444 3.53730 21.08997 Infinity 0.721039 Infinity
28065
903 pt -0.44437 0.58157 20.26854 Infinity 0.741422 Infinity
28066
904 pt -7.25768 -1.01791 9.68710 -Infinity 1.186662 -Infinity
28067
905 pt -7.36190 0.34405 8.38124 Infinity 1.324438 Infinity
28068
906 pt -6.38326 -0.35239 11.22448 Infinity 1.128372 Infinity
28069
907 pt -3.60306 -3.69805 15.84669 -Infinity 0.855665 -Infinity
28070
908 pt -4.30930 -2.14053 15.04271 Infinity 0.912385 Infinity
28071
909 pt -2.90857 -3.26893 17.55098 Infinity 0.799481 Infinity
28072
910 pt -5.16822 0.93584 13.95800 -Infinity 1.001758 -Infinity
28073
911 pt -6.27962 2.26872 14.70585 Infinity 0.948877 Infinity
28074
912 pt -3.36800 1.50708 14.02090 Infinity 1.030358 Infinity
28075
913 pt -5.45418 -5.22758 7.37470 -Infinity 1.216464 -Infinity
28076
914 pt -6.16248 -3.72513 8.27583 Infinity 1.219489 Infinity
28077
915 pt -4.07585 -4.67142 6.20767 Infinity 1.383430 Infinity
28078
916 pt -1.29327 -2.63745 20.40036 -Infinity 0.714374 -Infinity
28079
917 pt 0.00073 -3.99020 20.14216 Infinity 0.709110 Infinity
28080
918 pt -2.05263 -2.81106 22.12207 Infinity 0.662980 Infinity
28081
919 pt 3.32394 6.59266 15.37575 -Infinity 0.931094 -Infinity
28082
920 pt 2.22603 7.99704 16.00293 Infinity 0.895066 Infinity
28083
921 pt 2.28477 5.02981 15.15508 Infinity 0.965935 Infinity
28084
922 pt 3.11322 -0.68141 13.59847 -Infinity 1.015899 -Infinity
28085
923 pt 1.91027 0.64293 14.20681 Infinity 1.013269 Infinity
28086
924 pt 2.53743 -1.33426 11.92118 Infinity 1.120664 Infinity
28087
925 pt 1.77229 -1.95877 8.96305 -Infinity 1.360930 -Infinity
28088
926 pt 2.51968 -3.14042 7.69176 Infinity 1.387406 Infinity
28089
927 pt 1.02331 -0.46822 8.07515 Infinity 1.569835 Infinity
28090
928 pt -5.02901 6.57724 8.59094 -Infinity 1.439451 -Infinity
28091
929 pt -5.85158 4.98089 8.00264 Infinity 1.504353 Infinity
28092
930 pt -5.90136 8.06108 7.81101 Infinity 1.409850 Infinity
28093
931 pt 5.15095 3.62175 19.56522 -Infinity 0.746640 -Infinity
28094
932 pt 3.39600 2.93911 19.72393 Infinity 0.754684 Infinity
28095
933 pt 5.16423 5.04530 18.32248 Infinity 0.788640 Infinity
28096
934 pt -0.39772 3.00872 14.94090 -Infinity 0.996179 -Infinity
28097
935 pt -1.45899 4.50417 14.48440 Infinity 1.022439 Infinity
28098
936 pt -0.36954 2.80484 16.81938 Infinity 0.891723 Infinity
28099
937 pt -6.64425 3.06742 20.98053 -Infinity 0.698459 -Infinity
28100
938 pt -8.05623 3.05402 22.23640 Infinity 0.652721 Infinity
28101
939 pt -5.08996 3.77882 21.78623 Infinity 0.685814 Infinity
28102
940 pt -3.54158 6.82065 13.62283 -Infinity 1.040149 -Infinity
28103
941 pt -4.02152 6.90553 11.79704 Infinity 1.160862 Infinity
28104
942 pt -5.07583 6.45005 14.66195 Infinity 0.960611 Infinity
28105
943 pt 15.28954 2.36985 10.19335 -Infinity 0.822754 -Infinity
28106
944 pt 14.41915 3.27122 11.60793 Infinity 0.816564 Infinity
28107
945 pt 15.82134 0.65151 10.77262 Infinity 0.784267 Infinity
28108
946 pt 13.60355 5.48760 20.47039 -Infinity 0.619184 -Infinity
28109
947 pt 15.05712 4.42864 21.05074 Infinity 0.590804 Infinity
28110
948 pt 14.20977 6.75061 19.20218 Infinity 0.633293 Infinity
28111
949 pt 17.83250 -4.42491 7.54908 -Infinity 0.732955 -Infinity
28112
950 pt 17.61323 -3.43547 9.14407 Infinity 0.727637 Infinity
28113
951 pt 16.41989 -5.66854 7.37882 Infinity 0.757973 Infinity
28114
952 pt 20.63972 -5.69244 17.81691 -Infinity 0.535628 -Infinity
28115
953 pt 22.06784 -6.15055 18.96655 Infinity 0.503870 Infinity
28116
954 pt 19.21926 -6.91543 18.05700 Infinity 0.543155 Infinity
28117
955 pt 9.03179 -5.69478 9.46747 -Infinity 0.938909 -Infinity
28118
956 pt 8.50800 -6.82408 10.88922 Infinity 0.874106 Infinity
28119
957 pt 8.73233 -3.89243 9.95012 Infinity 0.983526 Infinity
28120
958 pt 8.08021 -1.06664 11.74697 -Infinity 0.990146 -Infinity
28121
959 pt 9.12325 -1.17998 13.31868 Infinity 0.888881 Infinity
28122
960 pt 6.27345 -0.76191 12.20936 Infinity 1.026968 Infinity
28123
961 pt 7.59028 6.14261 8.18668 -Infinity 1.275204 -Infinity
28124
962 pt 5.89005 6.69736 8.79704 Infinity 1.315326 Infinity
28125
963 pt 8.92505 6.80633 9.34811 Infinity 1.110653 Infinity
28126
964 pt 16.80377 -2.32912 12.31046 -Infinity 0.704935 -Infinity
28127
965 pt 15.60889 -3.45022 13.25197 Infinity 0.704290 Infinity
28128
966 pt 18.35498 -2.04459 13.35153 Infinity 0.654876 Infinity
28129
967 pt 10.05783 -1.84146 16.49901 -Infinity 0.753012 -Infinity
28130
968 pt 10.18834 -0.51533 17.83894 Infinity 0.722526 Infinity
28131
969 pt 8.44493 -2.80179 16.71671 Infinity 0.763478 Infinity
28132
970 pt 9.02812 1.27670 7.27224 -Infinity 1.240845 -Infinity
28133
971 pt 8.88810 0.32547 8.89908 Infinity 1.133716 Infinity
28134
972 pt 8.66395 3.10572 7.57744 Infinity 1.268498 Infinity
28135
973 pt 10.01205 1.83638 20.06944 -Infinity 0.674884 -Infinity
28136
974 pt 8.23300 2.46527 19.96681 Infinity 0.700547 Infinity
28137
975 pt 11.18349 3.29650 20.32799 Infinity 0.655423 Infinity
28138
976 pt 13.02417 4.68104 14.39937 -Infinity 0.776945 -Infinity
28139
977 pt 14.17957 5.93934 15.20733 Infinity 0.725348 Infinity
28140
978 pt 12.54695 3.35996 15.66353 Infinity 0.753143 Infinity
28141
979 pt 20.48377 -0.73546 19.46276 -Infinity 0.538585 -Infinity
28142
980 pt 21.58446 -0.96894 20.98099 Infinity 0.506772 Infinity
28143
981 pt 20.28909 -2.38668 18.56463 Infinity 0.547025 Infinity
28144
982 pt 13.50885 -5.46811 15.27662 -Infinity 0.683594 -Infinity
28145
983 pt 13.04466 -6.89550 16.42473 Infinity 0.652114 Infinity
28146
984 pt 12.36488 -3.99948 15.60148 Infinity 0.713300 Infinity
28147
985 pt -8.55978 13.14483 11.60942 -Infinity 0.897711 -Infinity
28148
986 pt -9.33517 11.43108 11.42803 Infinity 0.929796 Infinity
28149
987 pt -8.19325 13.85594 9.89740 Infinity 0.946731 Infinity
28150
988 pt -10.43540 18.37426 18.47158 -Infinity 0.604938 -Infinity
28151
989 pt -10.09194 17.95508 20.28194 Infinity 0.582428 Infinity
28152
990 pt -10.76313 16.78285 17.50666 Infinity 0.640093 Infinity
28153
991 pt -11.44291 8.86345 17.26625 -Infinity 0.727553 -Infinity
28154
992 pt -12.84567 7.74340 16.67563 Infinity 0.727252 Infinity
28155
993 pt -11.11900 8.55419 19.10214 Infinity 0.685827 Infinity
28156
994 pt -11.82219 13.92481 15.61237 -Infinity 0.706148 -Infinity
28157
995 pt -11.79540 12.21857 16.42422 Infinity 0.709823 Infinity
28158
996 pt -10.65670 13.93414 14.12489 Infinity 0.761612 Infinity
28159
997 pt -17.72015 14.22438 6.78914 -Infinity 0.737976 -Infinity
28160
998 pt -19.25308 13.23262 6.30169 Infinity 0.717564 Infinity
28161
999 pt -17.17030 13.72298 8.52618 Infinity 0.736880 Infinity
28162
1000 pt -16.78843 12.13269 11.60131 -Infinity 0.717209 -Infinity
28163
1001 pt -17.48318 10.39530 11.86564 Infinity 0.715152 Infinity
28164
1002 pt -14.97919 12.17819 12.14502 Infinity 0.748216 Infinity
28165
1003 pt -11.12403 8.79059 10.23757 -Infinity 0.978511 -Infinity
28166
1004 pt -11.71680 8.82634 8.44358 Infinity 1.026288 Infinity
28167
1005 pt -11.29043 7.03713 10.92223 Infinity 0.971120 Infinity
28168
1006 pt -21.45677 14.31269 12.50289 -Infinity 0.589542 -Infinity
28169
1007 pt -21.54150 15.99516 13.35915 Infinity 0.564563 Infinity
28170
1008 pt -19.64983 13.79726 12.30201 Infinity 0.628453 Infinity
28171
1009 pt -16.10633 17.16414 16.42900 -Infinity 0.590759 -Infinity
28172
1010 pt -14.88177 15.81374 15.93107 Infinity 0.630030 Infinity
28173
1011 pt -15.33966 18.86106 16.10690 Infinity 0.584954 Infinity
28174
1012 pt -7.99356 20.83352 10.28600 -Infinity 0.727874 -Infinity
28175
1013 pt -9.74673 20.75070 9.58558 Infinity 0.719794 Infinity
28176
1014 pt -6.77769 21.23808 8.89710 Infinity 0.753375 Infinity
28177
1015 pt -0.48096 9.94792 16.49141 -Infinity 0.855193 -Infinity
28178
1016 pt -1.63714 8.87621 15.44942 Infinity 0.918672 Infinity
28179
1017 pt -1.23474 11.66782 16.70312 Infinity 0.817725 Infinity
28180
1018 pt 3.68074 8.66127 10.59626 -Infinity 1.192506 -Infinity
28181
1019 pt 3.34558 7.55119 12.08839 Infinity 1.118638 Infinity
28182
1020 pt 4.73093 10.13819 11.13185 Infinity 1.079522 Infinity
28183
1021 pt -1.30132 18.55492 10.05202 -Infinity 0.856111 -Infinity
28184
1022 pt -1.82917 17.95008 8.34128 Infinity 0.927468 Infinity
28185
1023 pt -2.56976 17.99795 11.33728 Infinity 0.835327 Infinity
28186
1024 pt -2.85349 14.51688 16.98704 -Infinity 0.752513 -Infinity
28187
1025 pt -3.94520 15.24942 15.62961 Infinity 0.773618 Infinity
28188
1026 pt -3.85797 14.34022 18.57792 Infinity 0.705800 Infinity
28189
1027 pt -3.24106 20.38192 17.67302 -Infinity 0.631629 -Infinity
28190
1028 pt -3.66432 19.21288 16.24991 Infinity 0.679155 Infinity
28191
1029 pt -4.67239 21.58459 17.94860 Infinity 0.603141 Infinity
28192
1030 pt -5.50453 17.17533 13.19699 -Infinity 0.786216 -Infinity
28193
1031 pt -6.44576 15.59294 12.77130 Infinity 0.829608 Infinity
28194
1032 pt -6.37051 18.65682 12.40559 Infinity 0.759344 Infinity
28195
1033 pt -0.02938 6.98844 7.01504 -Infinity 1.806949 -Infinity
28196
1034 pt 1.14895 7.71723 8.30013 Infinity 1.535262 Infinity
28197
1035 pt -1.77527 6.90800 7.73370 Infinity 1.672649 Infinity
28198
1036 pt 6.77365 11.90334 13.32147 -Infinity 0.881337 -Infinity
28199
1037 pt 5.80174 11.93368 14.94183 Infinity 0.835855 Infinity
28200
1038 pt 7.65524 13.55779 13.08344 Infinity 0.835825 Infinity
28201
1039 pt 5.41852 14.45454 19.72899 -Infinity 0.660616 -Infinity
28202
1040 pt 4.29088 15.23998 18.43185 Infinity 0.688589 Infinity
28203
1041 pt 7.21713 14.89356 19.35043 Infinity 0.650431 Infinity
28204
1042 pt 2.49850 10.30866 20.89699 -Infinity 0.689874 -Infinity
28205
1043 pt 3.64088 11.79062 20.63276 Infinity 0.678217 Infinity
28206
1044 pt 1.29429 10.17383 19.44690 Infinity 0.739032 Infinity
28207
1045 pt 2.09371 16.12599 16.25691 -Infinity 0.741946 -Infinity
28208
1046 pt 2.10747 16.98535 14.57394 Infinity 0.769943 Infinity
28209
1047 pt 0.33338 15.57741 16.67086 Infinity 0.745856 Infinity
28210
1048 pt 14.28633 10.91695 9.52733 -Infinity 0.816621 -Infinity
28211
1049 pt 13.02180 9.86393 10.45640 Infinity 0.849698 Infinity
28212
1050 pt 16.02887 10.46100 10.09892 Infinity 0.758870 Infinity
28213
1051 pt 14.29889 13.47434 16.69262 -Infinity 0.636238 -Infinity
28214
1052 pt 15.92983 13.60116 17.63867 Infinity 0.596109 Infinity
28215
1053 pt 14.47159 14.33509 15.01920 Infinity 0.654067 Infinity
28216
1054 pt 17.03841 19.26055 9.68544 -Infinity 0.619085 -Infinity
28217
1055 pt 18.47326 20.07917 10.60311 Infinity 0.577605 Infinity
28218
1056 pt 15.79857 20.58105 9.14677 Infinity 0.623830 Infinity
28219
1057 pt 9.26622 16.36008 13.02087 -Infinity 0.748427 -Infinity
28220
1058 pt 11.08685 16.06847 12.60696 Infinity 0.732725 Infinity
28221
1059 pt 8.92707 18.21739 13.10117 Infinity 0.712912 Infinity
28222
1060 pt 10.65504 21.05000 19.19416 -Infinity 0.551956 -Infinity
28223
1061 pt 10.86231 21.99384 17.57019 Infinity 0.560293 Infinity
28224
1062 pt 8.92991 21.37180 19.89519 Infinity 0.550366 Infinity
28225
1063 pt 15.69520 8.39276 16.71258 -Infinity 0.652065 -Infinity
28226
1064 pt 17.58459 8.39920 16.74756 Infinity 0.618991 Infinity
28227
1065 pt 15.05866 10.17177 16.68110 Infinity 0.652727 Infinity
28228
1066 pt 19.27244 9.98682 10.68192 -Infinity 0.670434 -Infinity
28229
1067 pt 19.84427 11.65580 11.35911 Infinity 0.635958 Infinity
28230
1068 pt 20.29169 8.60384 11.46904 Infinity 0.645439 Infinity
28231
1069 pt 14.24259 15.54851 11.91663 -Infinity 0.695984 -Infinity
28232
1070 pt 14.42128 13.96236 10.90506 Infinity 0.735681 Infinity
28233
1071 pt 15.37541 16.88250 11.20370 Infinity 0.665111 Infinity
28234
1072 pt 18.29873 13.25479 20.01465 -Infinity 0.535763 -Infinity
28235
1073 pt 18.56623 15.10156 20.31294 Infinity 0.518105 Infinity
28236
1074 pt 19.95323 12.34986 20.13632 Infinity 0.520387 Infinity
28237
1075 pt 20.88558 8.61600 16.89172 -Infinity 0.563664 -Infinity
28238
1076 pt 21.94354 7.99195 15.45563 Infinity 0.566879 Infinity
28239
1077 pt 21.96533 9.60164 18.08911 Infinity 0.530838 Infinity
28240
1078 pt 10.59271 15.77113 19.59746 -Infinity 0.605108 -Infinity
28241
1079 pt 10.73962 17.64400 19.39296 Infinity 0.586957 Infinity
28242
1080 pt 11.68371 14.90919 18.31767 Infinity 0.626181 Infinity
28243
1081 pt 10.49783 8.34353 11.76116 -Infinity 0.911397 -Infinity
28244
1082 pt 11.20180 7.01540 12.90640 Infinity 0.862308 Infinity
28245
1083 pt 9.29399 9.43500 12.72581 Infinity 0.893584 Infinity
28251
1 a.u. = 0.171524 10**(-8) dyn/esu
28253
Atom X Y Z Electric field (a.u.)
28255
------------------------------------------------------------------------------------------------
28256
------------------------------------------------------------------------
28258
------------------------------------------------------------------------
28259
quantum energy -114.253225564 (-.299972E+06 kjoule/mol)
28260
quantum energy adjusted -114.253225564 (-.299972E+06 kjoule/mol)
28261
quantum energy internal -114.356400491 (-.300243E+06 kjoule/mol)
28262
Bq-nuclear energy 0.103174927 (0.270886E+03 kjoule/mol)
28263
Bq-electron energy 0.000000000 (0.000000E+00 kjoule/mol)
28264
classical energy -7.460532017 (-.195876E+05 kjoule/mol)
28265
total qmmm energy -121.713757581 (-.319559E+06 kjoule/mol)
28266
------------------------------------------------------------------------
28268
reducing step 6.25000000000000013E-4 3.57824636419551548E-5 1.00000000000000008E-5
28269
Total number of active Bq charges 1083
28270
frozen_density,esp T T
28271
disabling frozen_density,esp due to active qm atoms
28277
ao basis = "ao basis"
28284
input vectors = /home/d3p975/codes/nwchem-svn/nwchem/QA/tests/tce_qmmm_ccsd_opt/perm/fmd.movecs
28285
output vectors = /home/d3p975/codes/nwchem-svn/nwchem/QA/tests/tce_qmmm_ccsd_opt/perm/fmd.movecs
28290
Summary of "ao basis" -> "ao basis" (cartesian)
28291
------------------------------------------------------------------------------
28292
Tag Description Shells Functions and Types
28293
---------------- ------------------------------ ------ ---------------------
28294
O cc-pVDZ 6 15 3s2p1d
28295
C cc-pVDZ 6 15 3s2p1d
28300
Forming initial guess at 980.4s
28303
Loading old vectors from job with title :
28307
Nuclear repulsion energy = 31.052000345135202
28308
Bq nuclear interaction energy = 0.10321317395012854
28310
Starting SCF solution at 980.4s
28314
----------------------------------------------
28315
Quadratically convergent ROHF
28317
Convergence threshold : 1.000E-10
28318
Maximum no. of iterations : 200
28319
Final Fock-matrix accuracy: 0.000E+00
28320
----------------------------------------------
28323
#quartets = 1.471E+04 #integrals = 3.755E+05 #direct = 0.0% #cached =100.0%
28326
Integral file = /scratch/fmd.aoints.00
28327
Record size in doubles = 65536 No. of integs per rec = 43688
28328
Max. records in memory = 2 Max. records in file = 225827
28329
No. of bits per label = 8 No. of bits per value = 64
28332
File balance: exchanges= 0 moved= 0 time= 0.0
28334
Nuclear repulsion energy = 31.052000345135202
28335
Bq nuclear interaction energy = 0.10321317395012854
28337
iter energy gnorm gmax time
28338
----- ------------------- --------- --------- --------
28339
1 -113.9148243817 5.71E-04 1.57E-04 873.9
28340
Nuclear repulsion energy = 31.052000345135202
28341
Bq nuclear interaction energy = 0.10321317395012854
28342
2 -113.9148244067 2.47E-07 6.97E-08 874.2
28343
Nuclear repulsion energy = 31.052000345135202
28344
Bq nuclear interaction energy = 0.10321317395012854
28345
3 -113.9148244067 6.30E-12 1.83E-12 874.5
28346
Nuclear repulsion energy = 31.052000345135202
28347
Bq nuclear interaction energy = 0.10321317395012854
28353
Total SCF energy = -113.914824406683
28354
One-electron energy = -217.227938933000
28355
Two-electron energy = 72.157901007232
28356
Nuclear repulsion energy = 31.155213519085
28358
Time for solution = 0.7s
28384
ROHF Final Molecular Orbital Analysis
28385
-------------------------------------
28387
Vector 2 Occ=2.000000E+00 E=-1.134275E+01
28388
MO Center= 2.3E-01, 2.2E+00, -5.9E-01, r^2= 2.7E-02
28389
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
28390
----- ------------ --------------- ----- ------------ ---------------
28393
Vector 3 Occ=2.000000E+00 E=-1.395993E+00
28394
MO Center= -5.8E-01, 1.8E+00, -5.6E-01, r^2= 5.0E-01
28395
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
28396
----- ------------ --------------- ----- ------------ ---------------
28397
2 0.409257 1 O s 3 0.388489 1 O s
28398
17 0.207464 2 C s 19 -0.163913 2 C px
28400
Vector 4 Occ=2.000000E+00 E=-8.542069E-01
28401
MO Center= 1.8E-01, 2.1E+00, -5.8E-01, r^2= 1.4E+00
28402
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
28403
----- ------------ --------------- ----- ------------ ---------------
28404
17 0.355292 2 C s 3 -0.260829 1 O s
28405
18 0.234627 2 C s 31 0.228279 3 H s
28406
36 0.225498 4 H s 2 -0.192099 1 O s
28409
Vector 5 Occ=2.000000E+00 E=-6.769340E-01
28410
MO Center= -2.1E-02, 2.0E+00, -5.8E-01, r^2= 1.3E+00
28411
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
28412
----- ------------ --------------- ----- ------------ ---------------
28413
21 0.368749 2 C pz 6 0.334130 1 O pz
28414
36 -0.235781 4 H s 31 0.233046 3 H s
28417
Vector 6 Occ=2.000000E+00 E=-6.504681E-01
28418
MO Center= -5.0E-01, 1.8E+00, -5.6E-01, r^2= 1.3E+00
28419
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
28420
----- ------------ --------------- ----- ------------ ---------------
28421
4 0.436996 1 O px 19 -0.350874 2 C px
28422
7 0.290074 1 O px 3 -0.254983 1 O s
28423
5 0.203466 1 O py 20 -0.170844 2 C py
28425
Vector 7 Occ=2.000000E+00 E=-5.267903E-01
28426
MO Center= -5.5E-01, 1.8E+00, -5.6E-01, r^2= 9.2E-01
28427
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
28428
----- ------------ --------------- ----- ------------ ---------------
28429
5 0.431548 1 O py 8 0.313127 1 O py
28430
20 0.262837 2 C py 4 -0.192846 1 O px
28431
6 0.182607 1 O pz 23 0.150579 2 C py
28433
Vector 8 Occ=2.000000E+00 E=-4.362993E-01
28434
MO Center= -2.7E-01, 1.9E+00, -5.7E-01, r^2= 1.6E+00
28435
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
28436
----- ------------ --------------- ----- ------------ ---------------
28437
6 0.486153 1 O pz 9 0.408270 1 O pz
28438
31 -0.255550 3 H s 36 0.254897 4 H s
28439
21 -0.216562 2 C pz 5 -0.164219 1 O py
28441
Vector 9 Occ=0.000000E+00 E= 1.468792E-01
28442
MO Center= 4.2E-02, 2.1E+00, -5.8E-01, r^2= 1.7E+00
28443
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
28444
----- ------------ --------------- ----- ------------ ---------------
28445
23 0.584628 2 C py 8 -0.417520 1 O py
28446
20 0.370568 2 C py 5 -0.300424 1 O py
28447
22 -0.275809 2 C px 24 0.250307 2 C pz
28448
7 0.195786 1 O px 9 -0.175856 1 O pz
28449
19 -0.173642 2 C px 21 0.157105 2 C pz
28451
Vector 10 Occ=0.000000E+00 E= 2.233998E-01
28452
MO Center= 9.4E-01, 2.4E+00, -4.5E-01, r^2= 4.0E+00
28453
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
28454
----- ------------ --------------- ----- ------------ ---------------
28455
18 1.913327 2 C s 32 -1.500957 3 H s
28456
37 -1.238399 4 H s 22 0.605903 2 C px
28457
23 0.257456 2 C py 19 0.166061 2 C px
28459
Vector 11 Occ=0.000000E+00 E= 2.911817E-01
28460
MO Center= 9.8E-01, 2.6E+00, -7.9E-01, r^2= 4.1E+00
28461
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
28462
----- ------------ --------------- ----- ------------ ---------------
28463
37 1.930015 4 H s 32 -1.748604 3 H s
28464
24 1.292675 2 C pz 23 -0.448607 2 C py
28465
21 0.340839 2 C pz 9 -0.273240 1 O pz
28468
Vector 12 Occ=0.000000E+00 E= 3.718960E-01
28469
MO Center= 1.1E-01, 2.1E+00, -5.9E-01, r^2= 3.0E+00
28470
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
28471
----- ------------ --------------- ----- ------------ ---------------
28472
3 1.813986 1 O s 22 1.556723 2 C px
28473
18 -1.383740 2 C s 23 0.739618 2 C py
28474
7 0.622494 1 O px 8 0.297655 1 O py
28476
Vector 13 Occ=0.000000E+00 E= 6.835962E-01
28477
MO Center= 6.7E-01, 2.5E+00, -5.6E-01, r^2= 1.7E+00
28478
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
28479
----- ------------ --------------- ----- ------------ ---------------
28480
18 1.047584 2 C s 31 -0.765096 3 H s
28481
36 -0.748038 4 H s 30 -0.297021 2 C dzz
28482
22 0.291204 2 C px 29 0.282389 2 C dyz
28483
23 0.277996 2 C py 17 -0.214053 2 C s
28484
32 0.198043 3 H s 16 -0.195870 2 C s
28486
Vector 14 Occ=0.000000E+00 E= 6.960135E-01
28487
MO Center= 3.0E-01, 2.1E+00, -6.3E-01, r^2= 1.9E+00
28488
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
28489
----- ------------ --------------- ----- ------------ ---------------
28490
23 0.893116 2 C py 20 -0.866162 2 C py
28491
22 -0.458249 2 C px 19 0.400971 2 C px
28492
21 -0.360809 2 C pz 24 0.357423 2 C pz
28494
Vector 15 Occ=0.000000E+00 E= 7.561584E-01
28495
MO Center= 5.1E-02, 2.1E+00, -5.9E-01, r^2= 2.3E+00
28496
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
28497
----- ------------ --------------- ----- ------------ ---------------
28498
24 1.928444 2 C pz 36 0.704746 4 H s
28499
31 -0.692231 3 H s 32 -0.620415 3 H s
28500
23 -0.618923 2 C py 37 0.618455 4 H s
28501
22 0.374599 2 C px 9 -0.325003 1 O pz
28502
6 -0.297104 1 O pz 21 -0.277574 2 C pz
28504
Vector 16 Occ=0.000000E+00 E= 8.353035E-01
28505
MO Center= 5.5E-01, 2.3E+00, -5.8E-01, r^2= 2.5E+00
28506
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
28507
----- ------------ --------------- ----- ------------ ---------------
28508
24 1.508346 2 C pz 32 -1.501338 3 H s
28509
37 1.452618 4 H s 21 -0.764217 2 C pz
28510
27 0.524095 2 C dxz 23 -0.481334 2 C py
28511
36 -0.364195 4 H s 31 0.351395 3 H s
28512
22 0.325479 2 C px 29 0.265176 2 C dyz
28514
Vector 17 Occ=0.000000E+00 E= 8.939284E-01
28515
MO Center= -2.4E-02, 2.0E+00, -5.8E-01, r^2= 1.5E+00
28516
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
28517
----- ------------ --------------- ----- ------------ ---------------
28518
22 0.952417 2 C px 18 0.905131 2 C s
28519
19 -0.904172 2 C px 37 -0.528845 4 H s
28520
23 0.476951 2 C py 32 -0.466992 3 H s
28521
20 -0.444731 2 C py 7 -0.420517 1 O px
28522
26 -0.308087 2 C dxy 4 -0.267522 1 O px
28524
Vector 18 Occ=0.000000E+00 E= 9.596266E-01
28525
MO Center= 5.8E-01, 2.3E+00, -6.3E-01, r^2= 2.7E+00
28526
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
28527
----- ------------ --------------- ----- ------------ ---------------
28528
18 4.073926 2 C s 17 -1.676788 2 C s
28529
37 -1.316262 4 H s 32 -1.256836 3 H s
28530
16 -0.786817 2 C s 22 0.480803 2 C px
28531
3 -0.456001 1 O s 28 -0.288357 2 C dyy
28532
30 -0.241178 2 C dzz 23 0.237647 2 C py
28537
x = -0.59843553 y = 3.58517225 z = -1.07150069
28539
moments of inertia (a.u.)
28541
15.134844805408 -18.080927704908 0.484107087475
28542
-18.080927704908 44.133195816526 2.587695115022
28543
0.484107087475 2.587695115022 47.962949846959
28545
Mulliken analysis of the total density
28546
--------------------------------------
28548
Atom Charge Shell Charges
28549
----------- ------ -------------------------------------------------------
28550
1 O 8 8.47 2.00 0.83 0.92 2.79 1.90 0.02
28551
2 C 6 5.69 2.00 0.70 0.44 1.82 0.59 0.12
28552
3 H 1 0.93 0.75 0.15 0.03
28553
4 H 1 0.92 0.75 0.13 0.03
28555
Multipole analysis of the density wrt the origin
28556
------------------------------------------------
28558
L x y z total open nuclear
28559
- - - - ----- ---- -------
28560
0 0 0 0 0.000000 0.000000 16.000000
28562
1 1 0 0 1.400368 0.000000 -7.568444
28563
1 0 1 0 0.652389 0.000000 58.332464
28564
1 0 0 1 -0.074597 0.000000 -17.226745
28566
2 2 0 0 -10.035700 0.000000 26.748926
28567
2 1 1 0 4.671833 0.000000 -16.884621
28568
2 1 0 1 -1.468054 0.000000 8.296373
28569
2 0 2 0 -3.685307 0.000000 218.591905
28570
2 0 1 1 -1.062604 0.000000 -65.069986
28571
2 0 0 2 -8.051980 0.000000 24.129936
28573
Nuclear repulsion energy = 31.052000345135202
28574
Bq nuclear interaction energy = 0.10321317395012854
28576
Parallel integral file used 27 records with 0 large values
28578
NWChem Extensible Many-Electron Theory Module
28579
---------------------------------------------
28581
======================================================
28582
This portion of the program was automatically
28583
generated by a Tensor Contraction Engine (TCE).
28584
The development of this portion of the program
28585
and TCE was supported by US Department of Energy,
28586
Office of Science, Office of Basic Energy Science.
28587
TCE is a product of Battelle and PNNL.
28588
Please cite: S.Hirata, J.Phys.Chem.A 107, 9887 (2003).
28589
======================================================
28591
General Information
28592
-------------------
28593
Number of processors : 27
28594
Wavefunction type : Restricted Hartree-Fock
28595
No. of electrons : 16
28596
Alpha electrons : 8
28598
No. of orbitals : 80
28599
Alpha orbitals : 40
28601
Alpha frozen cores : 0
28602
Beta frozen cores : 0
28603
Alpha frozen virtuals : 0
28604
Beta frozen virtuals : 0
28605
Spin multiplicity : singlet
28606
Number of AO functions : 40
28607
Number of AO shells : 18
28608
Use of symmetry is : off
28609
Symmetry adaption is : off
28610
Schwarz screening : 0.00E+00
28612
Correlation Information
28613
-----------------------
28614
Calculation type : Coupled-cluster singles & doubles
28615
Perturbative correction : none
28616
Max iterations : 200
28617
Residual threshold : 0.10E-05
28618
T(0) DIIS level shift : 0.00E+00
28619
L(0) DIIS level shift : 0.00E+00
28620
T(1) DIIS level shift : 0.00E+00
28621
L(1) DIIS level shift : 0.00E+00
28622
T(R) DIIS level shift : 0.00E+00
28623
T(I) DIIS level shift : 0.00E+00
28624
CC-T/L Amplitude update : 5-th order DIIS
28625
I/O scheme : Global Array Library
28629
Available GA space size is 2654059007 doubles
28630
Available MA space size is 49130121 doubles
28632
Maximum block size supplied by input
28633
Maximum block size 12 doubles
28637
Block Spin Irrep Size Offset Alpha
28638
-------------------------------------------------
28639
1 alpha a 8 doubles 0 1
28640
2 beta a 8 doubles 8 1
28641
3 alpha a 10 doubles 16 3
28642
4 alpha a 11 doubles 26 4
28643
5 alpha a 11 doubles 37 5
28644
6 beta a 10 doubles 48 3
28645
7 beta a 11 doubles 58 4
28646
8 beta a 11 doubles 69 5
28648
Global array virtual files algorithm will be used
28650
Parallel file system coherency ......... OK
28652
#quartets = 1.471E+04 #integrals = 3.755E+05 #direct = 0.0% #cached =100.0%
28655
Integral file = /scratch/fmd.aoints.00
28656
Record size in doubles = 65536 No. of integs per rec = 43688
28657
Max. records in memory = 2 Max. records in file = 225827
28658
No. of bits per label = 8 No. of bits per value = 64
28661
File balance: exchanges= 0 moved= 0 time= 0.0
28664
Fock matrix recomputed
28665
1-e file size = 1600
28666
1-e file name = /scratch/fmd.f1
28667
1-e file handle = -993
28668
Cpu & wall time / sec 0.1 0.1
28670
2-e (intermediate) file size = 5769600
28671
2-e (intermediate) file name = /scratch/fmd.v2i
28672
Cpu & wall time / sec 0.1 0.1
28674
2-e file size = 3566009
28675
2-e file name = /scratch/fmd.v2
28676
2-e file handle = -991
28677
Cpu & wall time / sec 0.1 0.1
28680
t1 file name = /scratch/fmd.t1
28681
t1 file handle = -992
28682
Cpu & wall time / sec 0.0
28683
before tce_guess_t2
28686
t2 file size = 109248
28687
t2 file name = /scratch/fmd.t2
28688
t2 file handle = -989
28689
Cpu & wall time / sec 0.0
28692
-----------------------------------------------------------------
28693
Iter Residuum Correlation Cpu Wall V2*C2
28694
-----------------------------------------------------------------
28695
1 0.1517228252189 -0.3227455956869 0.2 0.2 0.0
28696
2 0.0552931186088 -0.3256154991564 0.2 0.2 0.0
28697
3 0.0173721640456 -0.3360814418334 0.2 0.2 0.0
28698
4 0.0105487193645 -0.3366163409872 0.2 0.2 0.0
28699
5 0.0044758989344 -0.3378508633683 0.2 0.2 0.0
28700
MICROCYCLE DIIS UPDATE: 5 5
28701
6 0.0016785711072 -0.3382773009212 0.2 0.2 0.0
28702
7 0.0007067125283 -0.3383871327051 0.2 0.2 0.0
28703
8 0.0003969019094 -0.3383908807820 0.2 0.2 0.0
28704
9 0.0002213867276 -0.3383952617090 0.2 0.2 0.0
28705
10 0.0001326200519 -0.3384004003498 0.2 0.2 0.0
28706
MICROCYCLE DIIS UPDATE: 10 5
28707
11 0.0000239569786 -0.3384070232889 0.2 0.2 0.0
28708
12 0.0000134086391 -0.3384075796173 0.2 0.2 0.0
28709
13 0.0000091679954 -0.3384085939852 0.2 0.2 0.0
28710
14 0.0000069523563 -0.3384086470694 0.2 0.2 0.0
28711
15 0.0000053453951 -0.3384087688736 0.2 0.2 0.0
28712
MICROCYCLE DIIS UPDATE: 15 5
28713
16 0.0000011679209 -0.3384087604570 0.2 0.2 0.0
28714
17 0.0000005980007 -0.3384088512034 0.2 0.2 0.0
28715
-----------------------------------------------------------------
28716
Iterations converged
28717
CCSD correlation energy / hartree = -0.338408851203422
28718
CCSD total energy / hartree = -114.253233257886521
28720
Singles contributions
28722
Doubles contributions
28723
9a (alpha) 9a (beta ) --- 7a (alpha) 7a (beta ) -0.1173400934
28725
CCSD Lambda iterations
28726
--------------------------------------
28727
Iter Residuum Cpu Wall
28728
--------------------------------------
28729
1 1.6754467720126 0.4 0.6
28730
2 0.0293308015283 0.5 0.6
28731
3 0.0031825452120 0.4 0.6
28732
4 0.0003677744053 0.5 0.6
28733
5 0.0001069181948 0.4 0.6
28734
MICROCYCLE DIIS UPDATE: 5 5
28735
6 0.0000239715870 0.4 0.6
28736
7 0.0000046318912 0.4 0.6
28737
8 0.0000014887058 0.4 0.6
28738
9 0.0000004829557 0.4 0.6
28739
--------------------------------------
28740
Iterations converged
28742
MO Z-VEC iterations
28743
--------------------------------------
28744
Iter Residuum Cpu Wall
28745
--------------------------------------
28746
1 0.0234868117762 0.0 0.0
28747
2 0.0076571906096 0.0 0.0
28748
3 0.0030600885533 0.0 0.0
28749
4 0.0027675703789 0.0 0.0
28750
5 0.0017239262962 0.0 0.0
28751
MICROCYCLE DIIS UPDATE: 5 5
28752
6 0.0003199914910 0.0 0.0
28753
7 0.0001726262891 0.0 0.0
28754
8 0.0000812772456 0.0 0.0
28755
9 0.0000691593501 0.0 0.0
28756
10 0.0000366435562 0.0 0.0
28757
MICROCYCLE DIIS UPDATE: 10 5
28758
11 0.0000046521720 0.0 0.0
28759
12 0.0000023154090 0.0 0.0
28760
13 0.0000011611668 0.0 0.0
28761
14 0.0000009778114 0.0 0.0
28762
--------------------------------------
28763
Iterations converged
28765
NWChem Gradients Module
28766
-----------------------
28770
wavefunction = TCE RHF CCSD
28774
ccsd ENERGY GRADIENTS
28776
atom coordinates gradient
28778
1 O -1.631854 3.087166 -1.028340 0.013412 0.002058 0.002524
28779
2 C 0.438876 4.084587 -1.115005 -0.000601 -0.000199 0.000386
28780
3 H 1.757857 4.021868 0.509726 -0.000256 0.000069 -0.000157
28781
4 H 1.095272 5.105743 -2.819723 -0.000862 0.000427 0.000302
28783
----------------------------------------
28784
| Time | 1-e(secs) | 2-e(secs) |
28785
----------------------------------------
28786
| CPU | 0.14 | 0.13 |
28787
----------------------------------------
28788
| WALL | 0.14 | 0.14 |
28789
----------------------------------------
28791
Parallel integral file used 27 records with 0 large values
28793
Bq nuclear interaction energy = 0.10321317395012854
28794
Calculating forces on classical charges
28795
---------------------------------------
28796
Total number of charges 1083
28797
NWChem Property Module
28798
----------------------
28802
---------------------------------------------
28803
Electrostatic potential/diamagnetic shielding
28804
---------------------------------------------
28806
1 a.u. = 9.07618 esu/cm ( or statvolts )
28807
Point X Y Z Total Potential(a.u.) Diamagnetic shielding(a.u.) External Bq potential
28808
1 pt -10.84723 -20.95206 -11.78145 -Infinity 0.557456 -Infinity
28809
2 pt -9.86955 -19.74675 -10.70328 Infinity 0.594241 Infinity
28810
3 pt -12.23975 -21.72295 -10.76279 Infinity 0.541874 Infinity
28811
4 pt -13.12431 -10.66220 -18.89845 -Infinity 0.613890 -Infinity
28812
5 pt -13.17480 -12.55121 -18.91047 Infinity 0.588768 Infinity
28813
6 pt -11.56403 -10.06709 -19.78300 Infinity 0.623514 Infinity
28814
7 pt -16.79698 -8.14740 -16.53412 -Infinity 0.632354 -Infinity
28815
8 pt -17.27884 -9.23444 -15.06537 Infinity 0.632786 Infinity
28816
9 pt -15.30717 -8.90378 -17.41696 Infinity 0.632084 Infinity
28817
10 pt -17.30898 -10.90329 -12.00970 -Infinity 0.648112 -Infinity
28818
11 pt -18.50874 -9.94796 -10.90563 Infinity 0.652622 Infinity
28819
12 pt -16.21978 -12.01827 -10.94126 Infinity 0.661207 Infinity
28820
13 pt -12.84229 -7.70713 -11.71752 -Infinity 0.808889 -Infinity
28821
14 pt -11.59319 -8.74067 -10.74665 Infinity 0.835258 Infinity
28822
15 pt -14.34453 -8.77081 -12.14520 Infinity 0.742129 Infinity
28823
16 pt -16.85206 -17.68011 -11.06739 -Infinity 0.559568 -Infinity
28824
17 pt -15.76931 -16.30360 -10.35749 Infinity 0.599189 Infinity
28825
18 pt -18.60008 -17.53383 -10.36448 Infinity 0.546359 Infinity
28826
19 pt -7.79410 -18.14784 -8.64778 -Infinity 0.662512 -Infinity
28827
20 pt -7.25183 -19.87407 -8.10266 Infinity 0.629523 Infinity
28828
21 pt -7.82011 -16.99302 -7.15219 Infinity 0.705651 Infinity
28829
22 pt -14.30790 -19.61047 -15.39045 -Infinity 0.523832 -Infinity
28830
23 pt -12.76607 -20.03958 -14.38562 Infinity 0.537711 Infinity
28831
24 pt -15.61428 -18.85789 -14.25112 Infinity 0.531981 Infinity
28832
25 pt -9.64833 -10.74055 -8.91994 -Infinity 0.855946 -Infinity
28833
26 pt -9.72122 -10.58856 -7.03775 Infinity 0.894234 Infinity
28834
27 pt -7.84571 -10.70876 -9.48617 Infinity 0.882574 Infinity
28835
28 pt -14.24334 -13.62735 -8.86931 -Infinity 0.686035 -Infinity
28836
29 pt -14.63664 -13.92470 -7.04504 Infinity 0.688614 Infinity
28837
30 pt -12.50957 -12.89284 -9.02937 Infinity 0.732256 Infinity
28838
31 pt 4.17235 -20.91808 -8.89512 -Infinity 0.610426 -Infinity
28839
32 pt 5.42298 -22.28335 -8.51689 Infinity 0.579036 Infinity
28840
33 pt 3.29182 -21.30218 -10.52245 Infinity 0.593604 Infinity
28841
34 pt 4.77665 -17.49377 -15.08387 -Infinity 0.617177 -Infinity
28842
35 pt 6.09922 -17.11458 -13.78846 Infinity 0.633687 Infinity
28843
36 pt 4.17902 -19.27407 -14.87300 Infinity 0.588783 Infinity
28844
37 pt -4.46367 -10.02339 -10.08087 -Infinity 0.951351 -Infinity
28845
38 pt -3.35375 -11.34455 -10.85139 Infinity 0.883456 Infinity
28846
39 pt -3.47826 -9.03697 -8.80534 Infinity 1.057392 Infinity
28847
40 pt -1.01914 -20.36333 -12.13302 -Infinity 0.605329 -Infinity
28848
41 pt -1.27340 -21.50243 -13.61924 Infinity 0.569274 Infinity
28849
42 pt -1.11261 -21.37482 -10.53953 Infinity 0.598159 Infinity
28850
43 pt -0.08714 -17.77605 -20.87779 -Infinity 0.548329 -Infinity
28851
44 pt -0.21103 -18.93209 -19.38806 Infinity 0.550314 Infinity
28852
45 pt 0.74838 -18.68106 -22.31095 Infinity 0.518742 Infinity
28853
46 pt 4.93315 -8.49329 -13.92387 -Infinity 0.863026 -Infinity
28854
47 pt 3.82291 -9.85485 -14.61999 Infinity 0.814450 Infinity
28855
48 pt 4.25571 -6.80448 -14.43384 Infinity 0.905829 Infinity
28856
49 pt 7.03823 -16.37430 -19.51718 -Infinity 0.565968 -Infinity
28857
50 pt 6.72082 -17.79076 -20.72712 Infinity 0.533574 Infinity
28858
51 pt 6.03643 -16.65551 -17.93972 Infinity 0.587925 Infinity
28859
52 pt -4.71592 -16.93543 -12.62987 -Infinity 0.667936 -Infinity
28860
53 pt -3.37893 -18.26962 -12.57116 Infinity 0.642598 Infinity
28861
54 pt -5.96767 -17.23525 -11.24629 Infinity 0.671435 Infinity
28862
55 pt -4.53578 -11.35453 -20.77148 -Infinity 0.637968 -Infinity
28863
56 pt -4.98153 -12.25794 -19.17266 Infinity 0.653173 Infinity
28864
57 pt -3.82525 -12.58688 -22.01547 Infinity 0.599242 Infinity
28865
58 pt -0.95776 -13.55463 -11.75498 -Infinity 0.789889 -Infinity
28866
59 pt 0.47151 -14.29957 -10.76842 Infinity 0.783137 Infinity
28867
60 pt -2.27347 -14.87724 -12.05610 Infinity 0.740741 Infinity
28868
61 pt 2.07894 -12.46035 -15.73870 -Infinity 0.728700 -Infinity
28869
62 pt 2.94444 -14.11609 -16.02247 Infinity 0.681109 Infinity
28870
63 pt 0.77920 -12.65243 -14.38046 Infinity 0.758437 Infinity
28871
64 pt -6.00156 -13.76490 -16.51292 -Infinity 0.669739 -Infinity
28872
65 pt -7.05937 -12.50399 -15.58436 Infinity 0.706364 Infinity
28873
66 pt -5.38350 -15.08094 -15.30581 Infinity 0.666627 Infinity
28874
67 pt 7.22251 -11.46514 -21.36664 -Infinity 0.604134 -Infinity
28875
68 pt 7.28986 -13.27499 -20.82724 Infinity 0.588660 Infinity
28876
69 pt 5.42112 -10.94076 -21.59271 Infinity 0.617987 Infinity
28877
70 pt 3.25646 -15.52294 -9.20442 -Infinity 0.755415 -Infinity
28878
71 pt 3.17873 -17.38271 -8.87842 Infinity 0.703404 Infinity
28879
72 pt 4.99113 -15.05733 -9.79198 Infinity 0.748217 Infinity
28880
73 pt 0.15302 -9.35989 -19.53028 -Infinity 0.707781 -Infinity
28881
74 pt -1.61596 -9.88574 -19.93682 Infinity 0.688157 Infinity
28882
75 pt 0.85426 -10.48961 -18.18750 Infinity 0.718857 Infinity
28883
76 pt -0.87106 -7.57185 -7.14327 -Infinity 1.252149 -Infinity
28884
77 pt 0.40400 -6.36168 -7.83664 Infinity 1.316199 Infinity
28885
78 pt 0.00403 -9.13609 -6.54459 Infinity 1.148179 Infinity
28886
79 pt 8.90602 -16.16124 -12.07933 -Infinity 0.651227 -Infinity
28887
80 pt 10.06345 -16.80113 -13.42913 Infinity 0.611733 Infinity
28888
81 pt 9.41688 -16.89020 -10.41239 Infinity 0.648348 Infinity
28889
82 pt 15.56929 -12.16173 -16.15772 -Infinity 0.589071 -Infinity
28890
83 pt 13.87596 -11.50905 -15.63076 Infinity 0.627414 Infinity
28891
84 pt 15.38860 -13.18072 -17.73889 Infinity 0.560311 Infinity
28892
85 pt 10.46903 -9.04920 -18.18006 -Infinity 0.666632 -Infinity
28893
86 pt 10.20630 -9.86870 -16.49766 Infinity 0.690365 Infinity
28894
87 pt 9.37499 -9.89185 -19.47006 Infinity 0.642016 Infinity
28895
88 pt 11.63256 -16.92690 -16.83804 -Infinity 0.558470 -Infinity
28896
89 pt 12.95383 -16.38644 -18.07627 Infinity 0.541415 Infinity
28897
90 pt 9.94403 -16.94837 -17.68626 Infinity 0.561877 Infinity
28898
91 pt 9.45734 -11.17968 -13.70331 -Infinity 0.729977 -Infinity
28899
92 pt 7.78453 -10.30612 -13.60496 Infinity 0.778665 Infinity
28900
93 pt 9.29334 -12.93519 -13.02335 Infinity 0.704670 Infinity
28901
94 pt 14.57351 -7.01191 -9.89825 -Infinity 0.780255 -Infinity
28902
95 pt 13.92515 -8.75873 -9.58311 Infinity 0.765960 Infinity
28903
96 pt 13.16652 -5.92158 -10.53276 Infinity 0.832272 Infinity
28904
97 pt 14.52072 -14.46192 -8.29747 -Infinity 0.649008 -Infinity
28905
98 pt 14.24146 -13.15412 -6.96228 Infinity 0.690912 Infinity
28906
99 pt 13.17915 -15.78699 -8.17317 Infinity 0.644049 Infinity
28907
100 pt 15.52349 -19.18551 -13.76149 -Infinity 0.521580 -Infinity
28908
101 pt 16.42369 -17.59041 -13.29635 Infinity 0.536658 Infinity
28909
102 pt 14.11817 -18.79000 -14.96137 Infinity 0.529849 Infinity
28910
103 pt 17.80980 -14.69129 -12.22449 -Infinity 0.566396 -Infinity
28911
104 pt 16.67759 -14.52179 -10.72102 Infinity 0.596148 Infinity
28912
105 pt 17.13730 -13.63881 -13.64263 Infinity 0.576616 Infinity
28913
106 pt -17.30092 3.37275 -20.58380 -Infinity 0.622222 -Infinity
28914
107 pt -16.62419 2.25017 -19.22257 Infinity 0.659047 Infinity
28915
108 pt -16.62172 2.81554 -22.25690 Infinity 0.601421 Infinity
28916
109 pt -7.95546 -4.07306 -19.46213 -Infinity 0.752038 -Infinity
28917
110 pt -6.18604 -3.60035 -18.99653 Infinity 0.794201 Infinity
28918
111 pt -9.00309 -4.21656 -17.89594 Infinity 0.784424 Infinity
28919
112 pt -10.24997 -4.43798 -14.87327 -Infinity 0.856413 -Infinity
28920
113 pt -11.59767 -5.53854 -14.13600 Infinity 0.825413 Infinity
28921
114 pt -8.61824 -4.74923 -13.97236 Infinity 0.921787 Infinity
28922
115 pt -12.87220 5.50573 -13.37259 -Infinity 0.913728 -Infinity
28923
116 pt -11.97015 3.85526 -13.55514 Infinity 0.945896 Infinity
28924
117 pt -14.43303 5.26041 -12.33592 Infinity 0.891816 Infinity
28925
118 pt -13.27301 -3.61429 -8.55495 -Infinity 0.977207 -Infinity
28926
119 pt -13.17243 -4.99407 -9.84227 Infinity 0.910836 Infinity
28927
120 pt -11.68927 -2.58475 -8.60849 Infinity 1.084887 Infinity
28928
121 pt -15.46701 0.10534 -17.21924 -Infinity 0.719145 -Infinity
28929
122 pt -14.68217 -0.01148 -15.50418 Infinity 0.780305 Infinity
28930
123 pt -16.81975 -1.20379 -17.38459 Infinity 0.680248 Infinity
28931
124 pt -8.46727 -1.50307 -9.49301 -Infinity 1.269385 -Infinity
28932
125 pt -7.00354 -0.32039 -9.32027 Infinity 1.432903 Infinity
28933
126 pt -7.86071 -3.16486 -10.15754 Infinity 1.188281 Infinity
28934
127 pt -10.80319 2.83237 -18.58697 -Infinity 0.787419 -Infinity
28935
128 pt -12.46319 1.98571 -18.90102 Infinity 0.743919 Infinity
28936
129 pt -10.22102 2.44779 -16.83077 Infinity 0.863281 Infinity
28937
130 pt -18.93772 -4.42330 -13.32449 -Infinity 0.681573 -Infinity
28938
131 pt -20.71119 -4.99157 -13.00365 Infinity 0.642082 Infinity
28939
132 pt -18.12737 -5.56876 -14.59032 Infinity 0.667537 Infinity
28940
133 pt -21.03744 2.75886 -16.81039 -Infinity 0.619390 -Infinity
28941
134 pt -20.11613 3.10195 -18.42425 Infinity 0.611960 Infinity
28942
135 pt -21.15692 0.89291 -16.53648 Infinity 0.618089 Infinity
28943
136 pt -19.60622 -0.61452 -9.83695 -Infinity 0.749427 -Infinity
28944
137 pt -21.45547 -0.39893 -10.16080 Infinity 0.692573 Infinity
28945
138 pt -18.91459 -1.94315 -10.98910 Infinity 0.742355 Infinity
28946
139 pt -19.79800 -2.65696 -19.03411 -Infinity 0.591586 -Infinity
28947
140 pt -18.76455 -3.87747 -20.04078 Infinity 0.585453 Infinity
28948
141 pt -21.29637 -3.54918 -18.30616 Infinity 0.573807 Infinity
28949
142 pt -17.01945 3.90994 -10.52095 -Infinity 0.843930 -Infinity
28950
143 pt -18.20277 5.00403 -11.50776 Infinity 0.779327 Infinity
28951
144 pt -17.85587 2.25865 -10.14053 Infinity 0.818612 Infinity
28952
145 pt -10.73109 0.64357 -13.77880 -Infinity 0.967271 -Infinity
28953
146 pt -10.66490 -1.09406 -14.51862 Infinity 0.916228 Infinity
28954
147 pt -10.09643 0.59634 -11.99946 Infinity 1.080858 Infinity
28955
148 pt -19.96419 6.69707 -13.78258 -Infinity 0.683874 -Infinity
28956
149 pt -21.04509 8.20050 -14.15999 Infinity 0.646786 Infinity
28957
150 pt -20.57727 5.21308 -14.77906 Infinity 0.658279 Infinity
28958
151 pt 4.27646 3.52693 -17.96847 -Infinity 0.909319 -Infinity
28959
152 pt 4.91578 3.51724 -19.74674 Infinity 0.821402 Infinity
28960
153 pt 3.52392 5.21573 -17.57773 Infinity 0.935862 Infinity
28961
154 pt -6.17639 -5.55571 -12.02476 -Infinity 1.041908 -Infinity
28962
155 pt -5.82558 -7.30895 -11.41309 Infinity 1.003501 Infinity
28963
156 pt -4.59382 -4.52704 -11.93319 Infinity 1.128194 Infinity
28964
157 pt -4.11778 1.33637 -9.68471 -Infinity 1.661477 -Infinity
28965
158 pt -3.55474 2.67919 -10.88924 Infinity 1.545007 Infinity
28966
159 pt -4.23005 2.05867 -7.94209 Infinity 2.007034 Infinity
28967
160 pt 3.59837 0.72646 -11.24338 -Infinity 1.402079 -Infinity
28968
161 pt 5.14808 1.53401 -11.96263 Infinity 1.280162 Infinity
28969
162 pt 2.27550 2.04491 -10.95563 Infinity 1.530627 Infinity
28970
163 pt -2.21718 4.79677 -13.03885 -Infinity 1.312999 -Infinity
28971
164 pt -3.42343 6.18759 -13.46507 Infinity 1.228801 Infinity
28972
165 pt -0.66164 5.52897 -12.25447 Infinity 1.404793 Infinity
28973
166 pt 3.82600 -3.32824 -15.07553 -Infinity 0.982779 -Infinity
28974
167 pt 2.42128 -2.87034 -16.25373 Infinity 0.951252 Infinity
28975
168 pt 3.92600 -2.05099 -13.68639 Infinity 1.096849 Infinity
28976
169 pt -0.09188 1.19598 -16.39151 -Infinity 1.028467 -Infinity
28977
170 pt 1.54226 1.93467 -16.98733 Infinity 0.989080 Infinity
28978
171 pt -0.97580 2.43803 -15.27480 Infinity 1.118856 Infinity
28979
172 pt -1.95644 -2.89934 -11.69132 -Infinity 1.271390 -Infinity
28980
173 pt -0.31648 -3.32068 -10.85225 Infinity 1.327296 Infinity
28981
174 pt -2.61635 -1.26773 -11.00323 Infinity 1.415436 Infinity
28982
175 pt 2.61901 -3.73649 -8.93676 -Infinity 1.415072 -Infinity
28983
176 pt 3.02704 -2.04167 -9.66627 Infinity 1.458089 Infinity
28984
177 pt 4.17402 -4.81023 -8.92715 Infinity 1.277128 Infinity
28985
178 pt -3.13455 -2.75176 -17.46252 -Infinity 0.898663 -Infinity
28986
179 pt -2.18429 -1.14366 -17.17596 Infinity 0.946299 Infinity
28987
180 pt -3.14016 -3.77320 -15.87265 Infinity 0.953740 Infinity
28988
181 pt -2.37332 5.77743 -19.79274 -Infinity 0.843804 -Infinity
28989
182 pt -0.86921 6.26141 -18.75616 Infinity 0.893237 Infinity
28990
183 pt -3.65335 7.16636 -19.73413 Infinity 0.830024 Infinity
28991
184 pt 17.61826 2.77546 -20.84224 -Infinity 0.595777 -Infinity
28992
185 pt 17.37527 1.75654 -19.26940 Infinity 0.624917 Infinity
28993
186 pt 18.63192 1.78021 -22.08845 Infinity 0.561250 Infinity
28994
187 pt 8.87646 -4.30942 -16.48300 -Infinity 0.809709 -Infinity
28995
188 pt 9.17520 -6.03989 -17.18106 Infinity 0.755297 Infinity
28996
189 pt 7.02398 -4.04755 -16.21691 Infinity 0.859053 Infinity
28997
190 pt 18.69806 -5.45647 -12.56866 -Infinity 0.661403 -Infinity
28998
191 pt 18.43453 -5.72215 -14.42096 Infinity 0.639397 Infinity
28999
192 pt 17.29827 -6.28518 -11.60695 Infinity 0.696259 Infinity
29000
193 pt 6.85501 -6.63346 -9.49675 -Infinity 1.048828 -Infinity
29001
194 pt 8.36015 -5.61880 -10.02218 Infinity 1.019343 Infinity
29002
195 pt 6.14763 -7.53679 -10.99830 Infinity 0.974321 Infinity
29003
196 pt 7.28606 3.21664 -13.81087 -Infinity 1.068957 -Infinity
29004
197 pt 7.94021 4.98919 -13.77608 Infinity 1.043523 Infinity
29005
198 pt 6.28509 2.94439 -15.39043 Infinity 1.006487 Infinity
29006
199 pt 18.09289 -0.64844 -10.51917 -Infinity 0.750688 -Infinity
29007
200 pt 16.96802 0.45208 -11.56540 Infinity 0.774969 Infinity
29008
201 pt 18.10762 -2.39729 -11.23497 Infinity 0.724850 Infinity
29009
202 pt 16.49242 -0.69587 -17.13454 -Infinity 0.671954 -Infinity
29010
203 pt 14.82801 -0.98991 -17.97973 Infinity 0.686136 Infinity
29011
204 pt 17.49223 -2.29944 -17.13485 Infinity 0.643303 Infinity
29012
205 pt 18.34756 3.21853 -7.00221 -Infinity 0.809593 -Infinity
29013
206 pt 18.15792 1.76321 -8.19265 Infinity 0.797326 Infinity
29014
207 pt 17.55067 4.75766 -7.75528 Infinity 0.830083 Infinity
29015
208 pt 14.37974 -6.41973 -20.43671 -Infinity 0.604915 -Infinity
29016
209 pt 13.11042 -7.60423 -19.69050 Infinity 0.622625 Infinity
29017
210 pt 13.63115 -4.68903 -20.56068 Infinity 0.627197 Infinity
29018
211 pt 18.69241 -5.53020 -17.80981 -Infinity 0.590369 -Infinity
29019
212 pt 19.60332 -7.17959 -17.66543 Infinity 0.566189 Infinity
29020
213 pt 17.14995 -5.75273 -18.87863 Infinity 0.596794 Infinity
29021
214 pt 15.32871 2.62861 -13.27352 -Infinity 0.798871 -Infinity
29022
215 pt 15.60764 4.48033 -13.52732 Infinity 0.784696 Infinity
29023
216 pt 15.75374 1.70256 -14.86501 Infinity 0.746692 Infinity
29024
217 pt 12.13376 -1.76043 -19.54097 -Infinity 0.693975 -Infinity
29025
218 pt 11.31597 -0.49591 -20.68258 Infinity 0.686678 Infinity
29026
219 pt 10.83338 -2.50462 -18.38934 Infinity 0.739745 Infinity
29027
220 pt 10.79348 -4.03850 -11.69169 -Infinity 0.922122 -Infinity
29028
221 pt 10.24394 -4.17550 -13.49454 Infinity 0.877226 Infinity
29029
222 pt 10.91581 -2.21633 -11.20610 Infinity 0.975858 Infinity
29030
223 pt 10.94454 1.05125 -10.90195 -Infinity 1.043378 -Infinity
29031
224 pt 12.62008 1.70127 -11.48599 Infinity 0.947682 Infinity
29032
225 pt 9.57066 1.81774 -11.94884 Infinity 1.069234 Infinity
29033
226 pt -20.51211 13.56484 -11.32196 -Infinity 0.651642 -Infinity
29034
227 pt -21.63186 15.03296 -10.91964 Infinity 0.617105 Infinity
29035
228 pt -21.18441 12.65469 -12.83547 Infinity 0.629489 Infinity
29036
229 pt -10.46523 8.63279 -8.09919 -Infinity 1.215530 -Infinity
29037
230 pt -11.63953 7.17420 -7.84504 Infinity 1.188209 Infinity
29038
231 pt -11.46416 10.18184 -8.51590 Infinity 1.083010 Infinity
29039
232 pt -8.15588 14.57246 -12.86742 -Infinity 0.896662 -Infinity
29040
233 pt -9.14653 13.06965 -13.44296 Infinity 0.897869 Infinity
29041
234 pt -7.96230 14.51862 -10.98841 Infinity 0.967297 Infinity
29042
235 pt -17.59378 8.01631 -18.38067 -Infinity 0.648043 -Infinity
29043
236 pt -17.41510 6.38182 -19.31211 Infinity 0.640091 Infinity
29044
237 pt -18.07826 7.67072 -16.58709 Infinity 0.673522 Infinity
29045
238 pt -10.47256 10.04329 -14.53196 -Infinity 0.891913 -Infinity
29046
239 pt -11.28526 8.48432 -13.83901 Infinity 0.919902 Infinity
29047
240 pt -11.58696 10.79990 -15.85738 Infinity 0.807194 Infinity
29048
241 pt -15.75698 15.93881 -12.14329 -Infinity 0.710752 -Infinity
29049
242 pt -17.40103 15.04925 -11.86603 Infinity 0.693674 Infinity
29050
243 pt -15.74132 17.55525 -11.16456 Infinity 0.696168 Infinity
29051
244 pt -7.46751 19.13553 -14.92646 -Infinity 0.728697 -Infinity
29052
245 pt -7.66246 17.40037 -14.20377 Infinity 0.785899 Infinity
29053
246 pt -8.55464 20.34546 -13.96454 Infinity 0.707291 Infinity
29054
247 pt -10.53624 7.73402 -20.48594 -Infinity 0.719584 -Infinity
29055
248 pt -10.80886 6.05829 -19.65607 Infinity 0.748257 Infinity
29056
249 pt -11.67099 9.02173 -19.69525 Infinity 0.715170 Infinity
29057
250 pt -14.36924 17.86718 -17.06409 -Infinity 0.627039 -Infinity
29058
251 pt -14.75109 17.00461 -15.42664 Infinity 0.659710 Infinity
29059
252 pt -14.51662 19.73791 -16.84116 Infinity 0.602569 Infinity
29060
253 pt -12.66498 13.32471 -8.67150 -Infinity 0.924024 -Infinity
29061
254 pt -13.65321 14.07267 -10.09804 Infinity 0.839147 Infinity
29062
255 pt -13.49630 13.76044 -7.03134 Infinity 0.913077 Infinity
29063
256 pt -13.67825 11.26792 -18.59652 -Infinity 0.689286 -Infinity
29064
257 pt -14.24622 12.83372 -19.48913 Infinity 0.646417 Infinity
29065
258 pt -15.15896 10.12670 -18.32049 Infinity 0.679840 Infinity
29066
259 pt -9.55336 17.21485 -19.29745 -Infinity 0.653486 -Infinity
29067
260 pt -11.34681 17.11208 -18.71090 Infinity 0.647208 Infinity
29068
261 pt -8.50755 18.07802 -17.98129 Infinity 0.676269 Infinity
29069
262 pt -16.11527 15.20522 -21.27372 -Infinity 0.570812 -Infinity
29070
263 pt -15.75161 16.40769 -19.86203 Infinity 0.584673 Infinity
29071
264 pt -16.14013 16.14542 -22.91277 Infinity 0.539936 Infinity
29072
265 pt -15.56830 20.36334 -9.39387 -Infinity 0.666162 -Infinity
29073
266 pt -16.07070 22.00869 -10.17584 Infinity 0.621044 Infinity
29074
267 pt -16.21941 20.28211 -7.62171 Infinity 0.671473 Infinity
29075
268 pt -5.83197 9.47564 -18.95145 -Infinity 0.817566 -Infinity
29076
269 pt -7.58201 8.93917 -19.42118 Infinity 0.784930 Infinity
29077
270 pt -5.66627 9.50965 -17.06931 Infinity 0.897344 Infinity
29078
271 pt 3.38444 18.20482 -19.47593 -Infinity 0.671806 -Infinity
29079
272 pt 1.56555 18.01042 -19.95017 Infinity 0.671027 Infinity
29080
273 pt 4.34354 16.66657 -20.00973 Infinity 0.680393 Infinity
29081
274 pt -5.40748 14.21745 -21.14231 -Infinity 0.688573 -Infinity
29082
275 pt -5.41256 12.47926 -20.40087 Infinity 0.732647 Infinity
29083
276 pt -6.94635 15.15245 -20.56897 Infinity 0.678959 Infinity
29084
277 pt 1.81481 7.96249 -17.37456 -Infinity 0.938078 -Infinity
29085
278 pt 1.91184 9.15838 -15.91460 Infinity 0.996959 Infinity
29086
279 pt 2.11320 8.90640 -18.98424 Infinity 0.847343 Infinity
29087
280 pt -2.39331 19.06226 -15.80485 -Infinity 0.745978 -Infinity
29088
281 pt -4.25566 19.13874 -15.49364 Infinity 0.742877 Infinity
29089
282 pt -2.07353 18.64940 -17.62098 Infinity 0.713319 Infinity
29090
283 pt -1.68242 19.08771 -8.26699 -Infinity 0.933898 -Infinity
29091
284 pt -3.51003 19.43635 -7.93633 Infinity 0.912267 Infinity
29092
285 pt -0.81900 18.65373 -6.64303 Infinity 0.995685 Infinity
29093
286 pt 0.52001 16.42954 -12.34773 -Infinity 0.934803 -Infinity
29094
287 pt -0.15325 16.97691 -10.66898 Infinity 0.971185 Infinity
29095
288 pt -0.61747 17.05878 -13.71932 Infinity 0.865956 Infinity
29096
289 pt 1.98065 6.69707 -10.83120 -Infinity 1.515936 -Infinity
29097
290 pt 2.12080 8.35915 -11.71941 Infinity 1.337335 Infinity
29098
291 pt 3.13420 6.68229 -9.33447 Infinity 1.678331 Infinity
29099
292 pt -3.42664 11.77689 -8.96840 -Infinity 1.359551 -Infinity
29100
293 pt -1.84662 12.20826 -8.02578 Infinity 1.431710 Infinity
29101
294 pt -4.79607 12.98904 -8.49258 Infinity 1.255450 Infinity
29102
295 pt -1.69236 17.86562 -20.75921 -Infinity 0.657141 -Infinity
29103
296 pt -2.77242 16.31591 -20.70484 Infinity 0.680602 Infinity
29104
297 pt -2.14214 18.89517 -22.27867 Infinity 0.610601 Infinity
29105
298 pt 2.49165 11.35975 -13.31675 -Infinity 1.080662 -Infinity
29106
299 pt 4.29091 11.88129 -13.56520 Infinity 1.017042 Infinity
29107
300 pt 1.45562 12.86984 -12.85057 Infinity 1.058159 Infinity
29108
301 pt 4.15251 19.68005 -14.52756 -Infinity 0.745110 -Infinity
29109
302 pt 4.10419 19.22717 -16.36158 Infinity 0.716185 Infinity
29110
303 pt 3.17466 18.40250 -13.53623 Infinity 0.812413 Infinity
29111
304 pt -5.34370 9.06368 -13.58434 -Infinity 1.103230 -Infinity
29112
305 pt -4.56432 10.12324 -12.22752 Infinity 1.179273 Infinity
29113
306 pt -7.21176 9.34763 -13.61180 Infinity 1.042541 Infinity
29114
307 pt 5.51932 12.74781 -7.79953 -Infinity 1.249114 -Infinity
29115
308 pt 6.84929 11.60320 -8.50102 Infinity 1.219995 Infinity
29116
309 pt 6.04122 14.54719 -8.04637 Infinity 1.103435 Infinity
29117
310 pt 7.55439 17.69532 -8.34983 -Infinity 0.900700 -Infinity
29118
311 pt 8.93145 16.86304 -7.35882 Infinity 0.918968 Infinity
29119
312 pt 8.25728 18.35603 -9.97478 Infinity 0.828674 Infinity
29120
313 pt 12.51245 8.26333 -17.98032 -Infinity 0.732371 -Infinity
29121
314 pt 12.76223 7.06122 -19.41684 Infinity 0.698264 Infinity
29122
315 pt 12.89609 10.02208 -18.55536 Infinity 0.697281 Infinity
29123
316 pt 15.15889 14.50932 -15.18404 -Infinity 0.674495 -Infinity
29124
317 pt 14.53033 13.69579 -16.76964 Infinity 0.667918 Infinity
29125
318 pt 16.96792 15.00877 -15.40545 Infinity 0.632408 Infinity
29126
319 pt 11.69219 13.42591 -11.37756 -Infinity 0.854861 -Infinity
29127
320 pt 13.10797 13.80735 -12.56967 Infinity 0.780162 Infinity
29128
321 pt 12.02058 14.26792 -9.71797 Infinity 0.862678 Infinity
29129
322 pt 19.34260 17.78521 -10.15277 -Infinity 0.615274 -Infinity
29130
323 pt 20.00734 18.81379 -11.59193 Infinity 0.579752 Infinity
29131
324 pt 17.61213 18.38886 -9.69215 Infinity 0.642670 Infinity
29132
325 pt 14.81931 20.47550 -9.64200 -Infinity 0.657751 -Infinity
29133
326 pt 12.98043 20.09698 -9.42677 Infinity 0.699960 Infinity
29134
327 pt 15.06827 21.53925 -11.18392 Infinity 0.620271 Infinity
29135
328 pt 14.98961 21.15041 -20.51338 -Infinity 0.525904 -Infinity
29136
329 pt 16.21386 22.53868 -20.89415 Infinity 0.498388 Infinity
29137
330 pt 13.51704 21.26689 -21.69196 Infinity 0.523652 Infinity
29138
331 pt 13.89715 12.83430 -19.90002 -Infinity 0.628986 -Infinity
29139
332 pt 15.54440 12.73368 -20.82060 Infinity 0.591785 Infinity
29140
333 pt 12.66682 13.84588 -20.91691 Infinity 0.617099 Infinity
29141
334 pt 19.90037 11.17115 -7.02001 -Infinity 0.710076 -Infinity
29142
335 pt 21.11675 11.41617 -8.44530 Infinity 0.663340 Infinity
29143
336 pt 19.66651 12.80625 -6.10195 Infinity 0.704769 Infinity
29144
337 pt 15.86266 7.87112 -13.98275 -Infinity 0.752157 -Infinity
29145
338 pt 14.54442 7.97840 -15.33248 Infinity 0.755203 Infinity
29146
339 pt 17.31746 8.99071 -14.43125 Infinity 0.698455 Infinity
29147
340 pt 16.39511 7.65080 -8.74053 -Infinity 0.843470 -Infinity
29148
341 pt 16.02358 7.79590 -10.58769 Infinity 0.820179 Infinity
29149
342 pt 17.57345 9.03467 -8.22335 Infinity 0.793755 Infinity
29150
343 pt 7.35600 12.96715 -14.14003 -Infinity 0.894689 -Infinity
29151
344 pt 7.55476 14.02923 -15.69037 Infinity 0.813267 Infinity
29152
345 pt 8.83938 13.23168 -12.99956 Infinity 0.892270 Infinity
29153
346 pt 9.16168 19.75380 -12.73455 -Infinity 0.723107 -Infinity
29154
347 pt 10.48556 19.52285 -14.06311 Infinity 0.687079 Infinity
29155
348 pt 7.45231 19.75248 -13.54022 Infinity 0.730998 Infinity
29156
349 pt 19.08923 7.72277 -19.74192 -Infinity 0.584275 -Infinity
29157
350 pt 19.73363 8.29806 -21.42265 Infinity 0.549985 Infinity
29158
351 pt 18.67400 5.88097 -19.82215 Infinity 0.594113 Infinity
29159
352 pt 19.79474 20.54211 -14.54933 -Infinity 0.539436 -Infinity
29160
353 pt 20.98724 21.54736 -15.61633 Infinity 0.507321 Infinity
29161
354 pt 18.17455 21.49337 -14.34643 Infinity 0.550649 Infinity
29162
355 pt 8.64408 15.94060 -18.12349 -Infinity 0.697316 -Infinity
29163
356 pt 9.97514 17.12259 -17.48928 Infinity 0.675058 Infinity
29164
357 pt 8.94242 15.57806 -19.95397 Infinity 0.659181 Infinity
29165
358 pt 8.82610 8.03358 -14.40710 -Infinity 0.948669 -Infinity
29166
359 pt 8.04665 9.75465 -14.44485 Infinity 0.940237 Infinity
29167
360 pt 10.17941 7.92487 -15.72156 Infinity 0.858298 Infinity
29168
361 pt 9.29234 9.05848 -9.37457 -Infinity 1.150280 -Infinity
29169
362 pt 10.64756 10.37470 -9.41938 Infinity 1.035880 Infinity
29170
363 pt 9.11065 8.28138 -11.08752 Infinity 1.093932 Infinity
29171
364 pt 12.59673 18.81047 -16.48611 -Infinity 0.632506 -Infinity
29172
365 pt 13.51649 19.77201 -17.82795 Infinity 0.588861 Infinity
29173
366 pt 13.68255 17.39197 -15.86973 Infinity 0.647989 Infinity
29174
367 pt 19.85645 15.93878 -16.90109 -Infinity 0.559860 -Infinity
29175
368 pt 19.89666 16.39186 -18.73526 Infinity 0.535912 Infinity
29176
369 pt 20.11654 17.49490 -15.86094 Infinity 0.553304 Infinity
29177
370 pt 20.01769 10.81345 -15.74679 -Infinity 0.609919 -Infinity
29178
371 pt 19.77106 9.70772 -17.25927 Infinity 0.600323 Infinity
29179
372 pt 20.13916 12.61723 -16.29697 Infinity 0.588652 Infinity
29180
373 pt -10.99977 -18.26673 -1.58816 -Infinity 0.660355 -Infinity
29181
374 pt -12.19117 -16.96506 -0.91191 Infinity 0.677622 Infinity
29182
375 pt -9.67840 -17.42452 -2.64444 Infinity 0.696663 Infinity
29183
376 pt -17.07083 -16.08790 3.90697 -Infinity 0.611930 -Infinity
29184
377 pt -15.88624 -15.62047 2.51079 Infinity 0.644755 Infinity
29185
378 pt -17.82565 -14.52064 4.64522 Infinity 0.623938 Infinity
29186
379 pt -7.64994 -15.34516 -4.31901 -Infinity 0.780912 -Infinity
29187
380 pt -5.84106 -15.10073 -3.82984 Infinity 0.814778 Infinity
29188
381 pt -8.56352 -13.69504 -4.20268 Infinity 0.828840 Infinity
29189
382 pt -18.71629 -16.46953 -4.51881 -Infinity 0.587000 -Infinity
29190
383 pt -19.33044 -15.17994 -3.28154 Infinity 0.601191 Infinity
29191
384 pt -19.81720 -16.44496 -6.05454 Infinity 0.567065 Infinity
29192
385 pt -9.86957 -10.73162 -3.77468 -Infinity 0.926373 -Infinity
29193
386 pt -8.61630 -10.35947 -2.41017 Infinity 0.991113 Infinity
29194
387 pt -11.58602 -10.16104 -3.22759 Infinity 0.902804 Infinity
29195
388 pt -10.02704 -11.78005 3.35271 -Infinity 0.861750 -Infinity
29196
389 pt -8.56522 -11.65389 2.16181 Infinity 0.914016 Infinity
29197
390 pt -10.23786 -10.14071 4.26878 Infinity 0.909082 Infinity
29198
391 pt -13.61008 -14.11735 0.31861 -Infinity 0.726643 -Infinity
29199
392 pt -12.36112 -13.30666 1.48220 Infinity 0.771245 Infinity
29200
393 pt -14.28235 -12.82487 -0.88498 Infinity 0.748806 Infinity
29201
394 pt -18.89252 -11.57912 5.90747 -Infinity 0.646029 -Infinity
29202
395 pt -17.49419 -10.44902 6.48936 Infinity 0.688825 Infinity
29203
396 pt -19.96402 -10.66109 4.65042 Infinity 0.647483 Infinity
29204
397 pt -17.70216 -20.26342 6.80328 -Infinity 0.526231 -Infinity
29205
398 pt -18.03038 -19.64991 8.56025 Infinity 0.522511 Infinity
29206
399 pt -17.52633 -18.78390 5.64088 Infinity 0.554398 Infinity
29207
400 pt -16.47243 -7.48574 1.83749 -Infinity 0.818376 -Infinity
29208
401 pt -15.80437 -7.69942 3.59223 Infinity 0.821159 Infinity
29209
402 pt -18.32419 -7.86211 1.81718 Infinity 0.751772 Infinity
29210
403 pt -10.83510 -16.28219 6.09083 -Infinity 0.681194 -Infinity
29211
404 pt -10.06554 -17.55493 4.92508 Infinity 0.668077 Infinity
29212
405 pt -10.60374 -14.54902 5.37413 Infinity 0.737129 Infinity
29213
406 pt -14.75564 -9.61333 -2.50365 -Infinity 0.824950 -Infinity
29214
407 pt -15.44173 -8.47212 -3.84454 Infinity 0.828664 Infinity
29215
408 pt -15.26894 -8.96859 -0.80309 Infinity 0.829304 Infinity
29216
409 pt -15.26510 -7.85029 6.85546 -Infinity 0.791713 -Infinity
29217
410 pt -13.44174 -7.38506 6.68221 Infinity 0.861334 Infinity
29218
411 pt -16.24580 -6.34822 7.44968 Infinity 0.784643 Infinity
29219
412 pt -9.15442 -20.04401 2.90455 -Infinity 0.628151 -Infinity
29220
413 pt -9.72709 -21.82638 3.16201 Infinity 0.584775 Infinity
29221
414 pt -9.67216 -19.45717 1.18449 Infinity 0.642728 Infinity
29222
415 pt 4.74258 -10.87172 2.62637 -Infinity 1.005542 -Infinity
29223
416 pt 5.45485 -12.53618 3.16796 Infinity 0.899342 Infinity
29224
417 pt 5.78504 -9.47292 3.35280 Infinity 1.049027 Infinity
29225
418 pt 1.39283 -12.03771 -5.60170 -Infinity 0.972264 -Infinity
29226
419 pt 1.90546 -13.30981 -6.90172 Infinity 0.883380 Infinity
29227
420 pt 2.79707 -11.80478 -4.35875 Infinity 0.989447 Infinity
29228
421 pt -5.13490 -20.95881 6.01155 -Infinity 0.615824 -Infinity
29229
422 pt -4.30842 -22.59383 5.54818 Infinity 0.586195 Infinity
29230
423 pt -6.38209 -20.48112 4.67461 Infinity 0.628835 Infinity
29231
424 pt 0.80651 -14.65012 6.66279 -Infinity 0.803825 -Infinity
29232
425 pt 1.28653 -15.88758 5.31767 Infinity 0.775595 Infinity
29233
426 pt 0.34536 -12.99967 5.86628 Infinity 0.886342 Infinity
29234
427 pt 2.05844 -18.14120 3.17918 -Infinity 0.715991 -Infinity
29235
428 pt 2.05713 -19.83688 4.01329 Infinity 0.662221 Infinity
29236
429 pt 0.99256 -18.20418 1.62002 Infinity 0.725208 Infinity
29237
430 pt 5.51210 -11.81957 -2.46073 -Infinity 0.958227 -Infinity
29238
431 pt 5.14301 -11.37461 -0.66160 Infinity 0.994017 Infinity
29239
432 pt 6.27712 -13.54572 -2.53960 Infinity 0.861231 Infinity
29240
433 pt 3.41914 -19.86918 -3.86379 -Infinity 0.666340 -Infinity
29241
434 pt 3.58603 -20.32872 -5.68918 Infinity 0.646084 Infinity
29242
435 pt 3.85301 -21.36547 -2.79425 Infinity 0.628605 Infinity
29243
436 pt 6.55189 -15.50131 3.81207 -Infinity 0.761629 -Infinity
29244
437 pt 7.58633 -16.40608 5.10914 Infinity 0.710717 Infinity
29245
438 pt 5.02947 -16.53620 3.38510 Infinity 0.747163 Infinity
29246
439 pt -0.79122 -18.45813 -1.21444 -Infinity 0.724181 -Infinity
29247
440 pt 0.69391 -18.89522 -2.29815 Infinity 0.707879 Infinity
29248
441 pt -2.03095 -19.88416 -1.23801 Infinity 0.679132 Infinity
29249
442 pt -2.83509 -13.97797 -2.79862 -Infinity 0.897064 -Infinity
29250
443 pt -1.49241 -13.11309 -3.80870 Infinity 0.941193 Infinity
29251
444 pt -2.12830 -15.55071 -2.02533 Infinity 0.830339 Infinity
29252
445 pt -0.17212 -10.23512 4.23727 -Infinity 1.076317 -Infinity
29253
446 pt 1.57479 -10.29570 3.51915 Infinity 1.077945 Infinity
29254
447 pt -1.26927 -9.15872 3.13786 Infinity 1.186135 Infinity
29255
448 pt -6.12881 -10.84941 -0.06946 -Infinity 1.031757 -Infinity
29256
449 pt -4.94119 -12.04281 -0.92762 Infinity 0.984539 Infinity
29257
450 pt -5.18634 -9.30526 0.47683 Infinity 1.160536 Infinity
29258
451 pt 7.76587 -7.18949 4.61040 -Infinity 1.079903 -Infinity
29259
452 pt 9.38295 -7.68425 3.76699 Infinity 1.009862 Infinity
29260
453 pt 8.12032 -6.64740 6.38567 Infinity 1.038756 Infinity
29261
454 pt 17.83888 -21.01195 -0.73843 -Infinity 0.520122 -Infinity
29262
455 pt 16.80782 -21.52340 0.76037 Infinity 0.522370 Infinity
29263
456 pt 17.74481 -19.13750 -0.95903 Infinity 0.547545 Infinity
29264
457 pt 10.07091 -19.79999 0.44173 -Infinity 0.620401 -Infinity
29265
458 pt 8.83641 -20.63468 1.60379 Infinity 0.611329 Infinity
29266
459 pt 11.72870 -19.59366 1.32504 Infinity 0.606100 Infinity
29267
460 pt 17.98757 -20.08073 -6.03316 -Infinity 0.524278 -Infinity
29268
461 pt 16.66585 -20.87587 -7.12489 Infinity 0.523380 Infinity
29269
462 pt 17.82063 -20.72971 -4.26624 Infinity 0.521317 Infinity
29270
463 pt 16.77542 -16.03419 -1.64681 -Infinity 0.609983 -Infinity
29271
464 pt 16.47151 -16.29732 -3.49328 Infinity 0.607521 Infinity
29272
465 pt 15.31657 -15.09788 -0.89440 Infinity 0.651337 Infinity
29273
466 pt 21.35337 -8.75199 2.25169 -Infinity 0.630583 -Infinity
29274
467 pt 20.93489 -10.03359 0.92752 Infinity 0.626510 Infinity
29275
468 pt 20.19563 -7.26813 2.08184 Infinity 0.676908 Infinity
29276
469 pt 20.71889 -12.57716 -1.40569 -Infinity 0.598200 -Infinity
29277
470 pt 19.86508 -11.24471 -2.43848 Infinity 0.632385 Infinity
29278
471 pt 19.53435 -14.02547 -1.14048 Infinity 0.598125 Infinity
29279
472 pt 8.75085 -8.62873 -5.08564 -Infinity 1.003210 -Infinity
29280
473 pt 7.48728 -9.63930 -4.10933 Infinity 1.008985 Infinity
29281
474 pt 7.93409 -7.92864 -6.63930 Infinity 1.036851 Infinity
29282
475 pt 13.08369 -11.32582 -4.44238 -Infinity 0.778863 -Infinity
29283
476 pt 11.55386 -10.28219 -4.81861 Infinity 0.848819 Infinity
29284
477 pt 12.89102 -12.13986 -2.74790 Infinity 0.768680 Infinity
29285
478 pt 12.69860 -8.82522 2.88448 -Infinity 0.858934 -Infinity
29286
479 pt 13.18547 -8.66098 4.70300 Infinity 0.827765 Infinity
29287
480 pt 13.06556 -7.20474 1.98423 Infinity 0.904964 Infinity
29288
481 pt 7.36721 -16.67962 -2.84939 -Infinity 0.730621 -Infinity
29289
482 pt 5.80780 -17.68138 -3.21786 Infinity 0.715305 Infinity
29290
483 pt 8.43284 -17.60928 -1.59590 Infinity 0.692863 Infinity
29291
484 pt 17.75984 -9.22630 -3.76179 -Infinity 0.709832 -Infinity
29292
485 pt 16.06501 -10.02631 -4.00392 Infinity 0.736641 Infinity
29293
486 pt 17.67783 -7.40820 -4.27057 Infinity 0.742449 Infinity
29294
487 pt 10.41893 -17.56461 -7.19963 -Infinity 0.648683 -Infinity
29295
488 pt 11.16534 -19.14737 -6.48631 Infinity 0.610615 Infinity
29296
489 pt 9.21864 -16.81336 -5.94824 Infinity 0.689510 Infinity
29297
490 pt 14.38783 -19.25403 3.15848 -Infinity 0.578255 -Infinity
29298
491 pt 15.53902 -17.75700 3.08970 Infinity 0.590408 Infinity
29299
492 pt 14.13487 -19.77329 4.95777 Infinity 0.565493 Infinity
29300
493 pt 12.70395 -13.36258 0.30636 -Infinity 0.740101 -Infinity
29301
494 pt 11.22990 -14.37822 0.91193 Infinity 0.739491 Infinity
29302
495 pt 12.80415 -11.74984 1.28620 Infinity 0.779439 Infinity
29303
496 pt -21.21177 -2.74352 -5.23845 -Infinity 0.728839 -Infinity
29304
497 pt -20.62476 -1.83661 -6.78894 Infinity 0.743714 Infinity
29305
498 pt -22.97511 -3.36934 -5.50310 Infinity 0.671037 Infinity
29306
499 pt -9.82237 2.07312 -3.93727 -Infinity 1.648157 -Infinity
29307
500 pt -11.01956 2.75679 -5.22971 Infinity 1.426834 Infinity
29308
501 pt -8.05344 2.54881 -4.40167 Infinity 1.960542 Infinity
29309
502 pt -7.84173 2.66253 6.20742 -Infinity 1.551374 -Infinity
29310
503 pt -6.93558 2.18114 4.62053 Infinity 1.858496 Infinity
29311
504 pt -9.69658 2.77737 5.86477 Infinity 1.396105 Infinity
29312
505 pt -15.02455 -3.39123 -0.90352 -Infinity 1.001003 -Infinity
29313
506 pt -15.72489 -4.71163 0.25282 Infinity 0.926481 Infinity
29314
507 pt -15.44505 -3.83182 -2.69241 Infinity 0.961555 Infinity
29315
508 pt -15.66201 5.16401 -2.15399 -Infinity 1.054384 -Infinity
29316
509 pt -17.37758 4.68697 -2.78669 Infinity 0.947019 Infinity
29317
510 pt -14.89414 3.69607 -1.24481 Infinity 1.121121 Infinity
29318
511 pt -13.07787 1.29958 0.05321 -Infinity 1.261697 -Infinity
29319
512 pt -11.72322 1.54478 -1.24134 Infinity 1.423265 Infinity
29320
513 pt -13.91130 -0.37508 -0.21509 Infinity 1.154164 Infinity
29321
514 pt -13.04265 2.70866 5.09844 -Infinity 1.150971 -Infinity
29322
515 pt -13.00606 2.23875 3.26843 Infinity 1.213955 Infinity
29323
516 pt -14.21246 1.54883 6.02440 Infinity 1.034053 Infinity
29324
517 pt -20.06184 3.36761 -3.83544 -Infinity 0.814023 -Infinity
29325
518 pt -21.27056 3.45177 -5.28560 Infinity 0.758343 Infinity
29326
519 pt -20.58931 1.99070 -2.65351 Infinity 0.795697 Infinity
29327
520 pt -10.48388 -4.41557 1.33638 -Infinity 1.241308 -Infinity
29328
521 pt -12.10646 -4.03129 0.44720 Infinity 1.156897 Infinity
29329
522 pt -9.03437 -3.76454 0.31357 Infinity 1.427928 Infinity
29330
523 pt -13.47419 4.66650 -6.82695 -Infinity 1.131353 -Infinity
29331
524 pt -14.38481 4.95985 -5.19730 Infinity 1.107351 Infinity
29332
525 pt -14.72487 4.26204 -8.18463 Infinity 1.010549 Infinity
29333
526 pt -16.69780 -5.62433 -5.35650 -Infinity 0.841333 -Infinity
29334
527 pt -18.39320 -4.79024 -5.38777 Infinity 0.795241 Infinity
29335
528 pt -15.56953 -4.80835 -6.63410 Infinity 0.887684 Infinity
29336
529 pt -10.19211 -6.99024 5.65676 -Infinity 1.014439 -Infinity
29337
530 pt -10.38534 -6.03807 4.03592 Infinity 1.094508 Infinity
29338
531 pt -8.51457 -6.58843 6.42843 Infinity 1.073143 Infinity
29339
532 pt 5.52739 2.65014 -4.06067 -Infinity 2.354867 -Infinity
29340
533 pt 6.35189 3.17834 -2.44442 Infinity 2.303463 Infinity
29341
534 pt 5.39335 4.13909 -5.21659 Infinity 2.230307 Infinity
29342
535 pt -1.60006 -3.19207 4.38460 -Infinity 1.816033 -Infinity
29343
536 pt -1.72760 -1.30796 4.45477 Infinity 2.126710 Infinity
29344
537 pt 0.21918 -3.69937 4.32058 Infinity 1.743743 Infinity
29345
538 pt -4.89816 3.24662 -4.94568 -Infinity 2.767538 -Infinity
29346
539 pt -5.04725 5.07100 -5.41524 Infinity 2.484113 Infinity
29347
540 pt -3.65265 3.05738 -3.53716 Infinity 4.120742 Infinity
29348
541 pt 0.58719 1.91585 5.69950 -Infinity 2.237339 -Infinity
29349
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29350
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29351
544 pt -3.04632 -6.84228 1.07758 -Infinity 1.460616 -Infinity
29352
545 pt -2.80694 -6.13150 -0.65694 Infinity 1.599139 Infinity
29353
546 pt -2.69088 -5.50324 2.36276 Infinity 1.604934 Infinity
29354
547 pt -7.05566 -2.18750 -1.77846 -Infinity 1.862918 -Infinity
29355
548 pt -7.91461 -1.08958 -3.05433 Infinity 1.817322 Infinity
29356
549 pt -5.46256 -2.88562 -2.51720 Infinity 1.961506 Infinity
29357
550 pt -2.43542 -4.22657 -3.42350 -Infinity 1.903418 -Infinity
29358
551 pt -2.14845 -5.47042 -4.81691 Infinity 1.603037 Infinity
29359
552 pt -1.03106 -2.96224 -3.40722 Infinity 2.267645 Infinity
29360
553 pt -5.62529 6.77306 1.45769 -Infinity 2.445387 -Infinity
29361
554 pt -6.71581 7.49059 0.09131 Infinity 2.158424 Infinity
29362
555 pt -5.83183 4.89536 1.50909 Infinity 2.683078 Infinity
29363
556 pt -5.66809 1.48065 1.69980 -Infinity 2.662006 -Infinity
29364
557 pt -3.99863 1.86186 0.90064 Infinity 3.923034 Infinity
29365
558 pt -6.52088 0.08948 0.74667 Infinity 2.297670 Infinity
29366
559 pt 1.94019 -1.34692 -4.30056 -Infinity 2.431624 -Infinity
29367
560 pt 3.24986 -0.00536 -4.06387 Infinity 2.588986 Infinity
29368
561 pt 2.26627 -2.26869 -5.91768 Infinity 1.939755 Infinity
29369
562 pt 5.34756 1.04922 3.70825 -Infinity 1.999934 -Infinity
29370
563 pt 5.98976 2.14259 2.30711 Infinity 2.152731 Infinity
29371
564 pt 6.65080 0.94144 5.07243 Infinity 1.629287 Infinity
29372
565 pt 3.61036 -3.88119 4.41975 -Infinity 1.561154 -Infinity
29373
566 pt 4.99801 -5.15308 4.25310 Infinity 1.364831 Infinity
29374
567 pt 4.23672 -2.18743 3.86304 Infinity 1.765800 Infinity
29375
568 pt 16.55098 -4.56507 -5.66568 -Infinity 0.820224 -Infinity
29376
569 pt 16.10202 -5.29853 -7.34840 Infinity 0.803542 Infinity
29377
570 pt 14.97081 -4.12486 -4.72740 Infinity 0.902498 Infinity
29378
571 pt 12.32977 3.20161 -0.44966 -Infinity 1.247963 -Infinity
29379
572 pt 12.49386 2.07325 1.05731 Infinity 1.208302 Infinity
29380
573 pt 14.03885 3.51421 -1.19289 Infinity 1.102341 Infinity
29381
574 pt 12.85311 0.36469 3.80632 -Infinity 1.096539 -Infinity
29382
575 pt 11.46514 0.47487 5.08401 Infinity 1.157072 Infinity
29383
576 pt 14.32255 1.40539 4.37966 Infinity 1.003287 Infinity
29384
577 pt 16.39471 3.96915 5.44334 -Infinity 0.883911 -Infinity
29385
578 pt 15.99966 5.80753 5.25526 Infinity 0.899508 Infinity
29386
579 pt 16.08589 3.43703 7.23011 Infinity 0.862702 Infinity
29387
580 pt 21.27508 3.59124 3.64663 -Infinity 0.718149 -Infinity
29388
581 pt 19.48454 3.60088 4.25074 Infinity 0.773790 Infinity
29389
582 pt 21.52872 2.15274 2.44769 Infinity 0.715560 Infinity
29390
583 pt 17.24678 3.47794 -2.06959 -Infinity 0.900740 -Infinity
29391
584 pt 18.23169 2.11593 -1.20590 Infinity 0.851503 Infinity
29392
585 pt 17.41559 3.28798 -3.94215 Infinity 0.882070 Infinity
29393
586 pt 18.49154 -4.12954 2.42115 -Infinity 0.767807 -Infinity
29394
587 pt 16.73926 -4.20485 1.71767 Infinity 0.834572 Infinity
29395
588 pt 18.41251 -4.09154 4.30884 Infinity 0.756431 Infinity
29396
589 pt 7.53357 4.48700 0.40331 -Infinity 1.972197 -Infinity
29397
590 pt 7.59406 6.06610 1.43957 Infinity 1.836236 Infinity
29398
591 pt 9.29019 3.97393 -0.06797 Infinity 1.635675 Infinity
29399
592 pt 20.65249 -0.46879 -0.62065 -Infinity 0.742015 -Infinity
29400
593 pt 21.10072 -1.36664 -2.22190 Infinity 0.720143 Infinity
29401
594 pt 19.94429 -1.70626 0.61959 Infinity 0.754222 Infinity
29402
595 pt 13.52227 -4.06899 1.02423 -Infinity 0.989301 -Infinity
29403
596 pt 13.09220 -2.48997 1.96911 Infinity 1.049690 Infinity
29404
597 pt 12.74060 -4.00811 -0.69517 Infinity 1.043348 Infinity
29405
598 pt 9.09712 -0.64342 -6.27013 -Infinity 1.359415 -Infinity
29406
599 pt 7.84480 0.56109 -5.52720 Infinity 1.602244 Infinity
29407
600 pt 9.85212 0.11294 -7.82864 Infinity 1.241334 Infinity
29408
601 pt 11.56978 -4.32771 -3.74550 -Infinity 1.084050 -Infinity
29409
602 pt 10.70353 -2.87589 -4.58982 Infinity 1.186961 Infinity
29410
603 pt 10.59355 -5.91475 -4.06068 Infinity 1.066269 Infinity
29411
604 pt -14.37489 14.79257 2.86220 -Infinity 0.877012 -Infinity
29412
605 pt -15.47905 14.28180 1.41616 Infinity 0.862853 Infinity
29413
606 pt -15.30356 14.53327 4.48744 Infinity 0.832984 Infinity
29414
607 pt -12.43164 7.91277 5.06406 -Infinity 1.139240 -Infinity
29415
608 pt -12.77931 6.05652 5.13127 Infinity 1.150794 Infinity
29416
609 pt -13.04589 8.61058 3.41882 Infinity 1.127995 Infinity
29417
610 pt -20.46172 8.37994 1.57158 -Infinity 0.775891 -Infinity
29418
611 pt -21.62527 8.42576 0.08326 Infinity 0.739889 Infinity
29419
612 pt -20.40127 6.62563 2.27143 Infinity 0.787315 Infinity
29420
613 pt -10.86252 18.03317 4.58925 -Infinity 0.857168 -Infinity
29421
614 pt -11.65106 19.20654 5.84323 Infinity 0.784163 Infinity
29422
615 pt -12.20393 16.96664 3.79287 Infinity 0.868162 Infinity
29423
616 pt -7.62740 9.69343 5.20697 -Infinity 1.414701 -Infinity
29424
617 pt -9.43537 9.14434 5.23531 Infinity 1.305437 Infinity
29425
618 pt -6.70486 8.75718 3.84924 Infinity 1.687467 Infinity
29426
619 pt -7.64291 14.62145 6.82715 -Infinity 1.041513 -Infinity
29427
620 pt -8.81645 15.74988 5.86771 Infinity 0.981205 Infinity
29428
621 pt -7.64061 12.90155 6.04421 Infinity 1.163333 Infinity
29429
622 pt -20.78294 18.64520 -0.96947 -Infinity 0.634247 -Infinity
29430
623 pt -22.28422 19.79280 -0.95368 Infinity 0.590074 Infinity
29431
624 pt -20.09737 18.47897 0.78365 Infinity 0.649069 Infinity
29432
625 pt -18.03112 12.78641 -0.37097 -Infinity 0.809665 -Infinity
29433
626 pt -18.79751 11.19561 0.30214 Infinity 0.807927 Infinity
29434
627 pt -19.39699 14.04201 -0.73004 Infinity 0.742394 Infinity
29435
628 pt -19.67270 18.34853 4.18051 -Infinity 0.646964 -Infinity
29436
629 pt -19.07920 19.95699 4.97529 Infinity 0.628287 Infinity
29437
630 pt -18.93722 16.87665 5.10988 Infinity 0.680186 Infinity
29438
631 pt -7.81311 14.55523 -7.57306 -Infinity 1.087827 -Infinity
29439
632 pt -7.71574 15.21060 -5.80329 Infinity 1.104169 Infinity
29440
633 pt -9.55635 13.90899 -7.91156 Infinity 1.043053 Infinity
29441
634 pt -12.91456 19.83861 -2.99530 -Infinity 0.779142 -Infinity
29442
635 pt -14.66100 20.20464 -3.61741 Infinity 0.728321 Infinity
29443
636 pt -12.10813 21.44060 -2.40003 Infinity 0.749940 Infinity
29444
637 pt -8.87660 13.43908 0.41734 -Infinity 1.227567 -Infinity
29445
638 pt -10.53234 13.62315 1.30936 Infinity 1.111824 Infinity
29446
639 pt -8.81468 11.76606 -0.45916 Infinity 1.368889 Infinity
29447
640 pt -13.92409 9.28422 0.20929 -Infinity 1.097609 -Infinity
29448
641 pt -15.16856 10.67930 -0.06661 Infinity 0.983378 Infinity
29449
642 pt -14.55155 7.70598 -0.61928 Infinity 1.098366 Infinity
29450
643 pt -8.63770 8.92541 -2.02872 -Infinity 1.640251 -Infinity
29451
644 pt -10.49534 8.60675 -2.16548 Infinity 1.430399 Infinity
29452
645 pt -7.82586 8.65764 -3.71404 Infinity 1.724492 Infinity
29453
646 pt -8.36052 17.33965 -2.88366 -Infinity 1.002559 -Infinity
29454
647 pt -8.42221 15.95092 -1.60355 Infinity 1.087486 Infinity
29455
648 pt -10.04042 18.20164 -2.96091 Infinity 0.911083 Infinity
29456
649 pt -17.64137 21.10222 -4.49208 -Infinity 0.647171 -Infinity
29457
650 pt -17.92011 22.97115 -4.47104 Infinity 0.609246 Infinity
29458
651 pt -18.78690 20.27925 -3.23447 Infinity 0.644442 Infinity
29459
652 pt -14.54628 14.75833 -4.13210 -Infinity 0.880068 -Infinity
29460
653 pt -14.06086 16.47714 -3.51474 Infinity 0.848732 Infinity
29461
654 pt -15.86953 14.03038 -2.99625 Infinity 0.858093 Infinity
29462
655 pt -1.04546 8.94451 2.24418 -Infinity 2.482944 -Infinity
29463
656 pt -2.65254 8.05184 1.80657 Infinity 2.723637 Infinity
29464
657 pt -0.44646 8.36962 3.94175 Infinity 2.277311 Infinity
29465
658 pt 5.16508 13.32438 6.05088 -Infinity 1.201574 -Infinity
29466
659 pt 7.05450 13.29983 6.07490 Infinity 1.126527 Infinity
29467
660 pt 4.50188 12.01580 7.24203 Infinity 1.244982 Infinity
29468
661 pt 1.96912 11.73596 -0.97360 -Infinity 1.882716 -Infinity
29469
662 pt 1.09759 10.57930 0.24033 Infinity 2.188290 Infinity
29470
663 pt 3.83434 11.67275 -0.67690 Infinity 1.753799 Infinity
29471
664 pt 0.76237 12.80548 -5.83943 -Infinity 1.531587 -Infinity
29472
665 pt 1.04281 12.24137 -4.05780 Infinity 1.725417 Infinity
29473
666 pt 2.40941 12.81194 -6.76587 Infinity 1.429357 Infinity
29474
667 pt 0.15044 17.50833 -3.76898 -Infinity 1.126807 -Infinity
29475
668 pt 1.73838 17.89872 -2.82182 Infinity 1.096989 Infinity
29476
669 pt 0.21618 15.73011 -4.40512 Infinity 1.268182 Infinity
29477
670 pt -3.54352 13.76947 1.45806 -Infinity 1.456681 -Infinity
29478
671 pt -2.76164 12.05159 1.55085 Infinity 1.734579 Infinity
29479
672 pt -5.38998 13.60335 1.09191 Infinity 1.402756 Infinity
29480
673 pt 2.22953 15.85317 2.70725 -Infinity 1.218755 -Infinity
29481
674 pt 1.35281 14.64549 1.54796 Infinity 1.387830 Infinity
29482
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29483
676 pt 2.11674 20.02869 5.67852 -Infinity 0.890235 -Infinity
29484
677 pt 1.23598 19.78645 7.33280 Infinity 0.872137 Infinity
29485
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29486
679 pt -6.69652 19.79346 -7.29386 -Infinity 0.867692 -Infinity
29487
680 pt -6.97568 19.52569 -5.44415 Infinity 0.900821 Infinity
29488
681 pt -7.32302 18.28918 -8.25078 Infinity 0.902248 Infinity
29489
682 pt -3.80635 20.07667 -1.62084 -Infinity 0.949857 -Infinity
29490
683 pt -2.40325 18.98149 -2.25564 Infinity 1.027338 Infinity
29491
684 pt -5.40968 19.07810 -1.56368 Infinity 0.982829 Infinity
29492
685 pt 7.18683 20.32979 4.21067 -Infinity 0.835630 -Infinity
29493
686 pt 5.40854 20.09762 4.80634 Infinity 0.865543 Infinity
29494
687 pt 7.75818 18.77139 3.30733 Infinity 0.898651 Infinity
29495
688 pt 4.39482 18.66950 -1.00442 -Infinity 1.010289 -Infinity
29496
689 pt 6.23177 18.23130 -0.93606 Infinity 0.994677 Infinity
29497
690 pt 3.49553 17.84578 0.43912 Infinity 1.075759 Infinity
29498
691 pt -5.81876 7.99781 -6.42792 -Infinity 1.826822 -Infinity
29499
692 pt -4.63188 9.19518 -7.28155 Infinity 1.708527 Infinity
29500
693 pt -7.52198 8.11249 -7.23845 Infinity 1.542326 Infinity
29501
694 pt 5.30559 7.12031 -6.74311 -Infinity 1.824646 -Infinity
29502
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29503
696 pt 4.65079 8.73982 -6.02235 Infinity 1.837088 Infinity
29504
697 pt -3.27421 16.92806 5.59097 -Infinity 1.052370 -Infinity
29505
698 pt -2.79937 16.12480 3.94769 Infinity 1.164458 Infinity
29506
699 pt -4.83246 16.10227 6.26993 Infinity 1.054047 Infinity
29507
700 pt 10.51248 12.75893 5.91032 -Infinity 1.006236 -Infinity
29508
701 pt 11.46401 14.06131 4.92570 Infinity 0.943923 Infinity
29509
702 pt 11.55858 12.18785 7.37682 Infinity 0.940156 Infinity
29510
703 pt 21.02074 11.18789 5.73530 -Infinity 0.672431 -Infinity
29511
704 pt 21.66297 9.94320 4.46670 Infinity 0.675365 Infinity
29512
705 pt 20.70567 10.30881 7.37817 Infinity 0.672884 Infinity
29513
706 pt 11.20937 10.51555 -3.38202 -Infinity 1.166308 -Infinity
29514
707 pt 11.48668 8.96435 -4.42507 Infinity 1.186702 Infinity
29515
708 pt 12.62684 10.70719 -2.14706 Infinity 1.073956 Infinity
29516
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29517
710 pt 17.84160 10.54772 4.90630 Infinity 0.781413 Infinity
29518
711 pt 15.21809 10.22141 6.49926 Infinity 0.858751 Infinity
29519
712 pt 17.75792 17.66393 4.65602 -Infinity 0.674466 -Infinity
29520
713 pt 17.42672 18.04202 6.47767 Infinity 0.660996 Infinity
29521
714 pt 19.60913 17.81332 4.30706 Infinity 0.635367 Infinity
29522
715 pt 14.98491 17.10310 -3.44561 -Infinity 0.775109 -Infinity
29523
716 pt 14.76780 16.76149 -1.59974 Infinity 0.795099 Infinity
29524
717 pt 16.74635 16.65916 -3.96652 Infinity 0.734338 Infinity
29525
718 pt 14.03992 15.74713 1.58747 -Infinity 0.838105 -Infinity
29526
719 pt 15.34080 16.47475 2.74909 Infinity 0.771725 Infinity
29527
720 pt 14.54356 13.99345 1.09552 Infinity 0.871176 Infinity
29528
721 pt 18.99371 8.50352 -2.41117 -Infinity 0.795404 -Infinity
29529
722 pt 19.44915 9.04610 -4.16310 Infinity 0.766242 Infinity
29530
723 pt 18.42888 6.70035 -2.43589 Infinity 0.833180 Infinity
29531
724 pt 8.85095 16.48082 0.99141 -Infinity 0.999157 -Infinity
29532
725 pt 10.73545 16.40647 1.11062 Infinity 0.933768 Infinity
29533
726 pt 8.17348 14.75557 0.62316 Infinity 1.127966 Infinity
29534
727 pt 7.14384 11.58929 -0.29710 -Infinity 1.454043 -Infinity
29535
728 pt 7.40501 10.45317 1.19022 Infinity 1.506702 Infinity
29536
729 pt 8.46422 11.23450 -1.60162 Infinity 1.367672 Infinity
29537
730 pt 19.81226 16.06568 -5.07812 -Infinity 0.662889 -Infinity
29538
731 pt 20.03935 16.89810 -6.75936 Infinity 0.637610 Infinity
29539
732 pt 20.82779 16.98519 -3.77648 Infinity 0.632482 Infinity
29540
733 pt 11.45763 14.85064 -6.33230 -Infinity 0.930645 -Infinity
29541
734 pt 11.11920 13.25385 -5.38005 Infinity 1.022339 Infinity
29542
735 pt 12.79667 15.84401 -5.44277 Infinity 0.862474 Infinity
29543
736 pt 12.05187 21.30956 -4.22414 -Infinity 0.730358 -Infinity
29544
737 pt 11.29608 21.78184 -2.55777 Infinity 0.737350 Infinity
29545
738 pt 13.19791 19.82400 -3.99882 Infinity 0.747609 Infinity
29546
739 pt 8.22931 8.58297 3.72200 -Infinity 1.445859 -Infinity
29547
740 pt 9.25767 10.05863 4.30165 Infinity 1.247986 Infinity
29548
741 pt 7.92216 7.41735 5.17736 Infinity 1.440277 Infinity
29549
742 pt 15.15190 10.95722 -0.04347 -Infinity 0.926278 -Infinity
29550
743 pt 15.25739 10.37302 1.75059 Infinity 0.923031 Infinity
29551
744 pt 16.58026 10.21532 -1.03363 Infinity 0.875680 Infinity
29552
745 pt -17.86368 -6.72740 21.14777 -Infinity 0.533446 -Infinity
29553
746 pt -17.49532 -7.28540 22.91525 Infinity 0.510921 Infinity
29554
747 pt -17.77188 -8.21399 19.98472 Infinity 0.539699 Infinity
29555
748 pt -17.83775 -10.42268 17.78667 -Infinity 0.548715 -Infinity
29556
749 pt -17.79933 -10.25219 15.90505 Infinity 0.574168 Infinity
29557
750 pt -16.96419 -12.01990 18.29345 Infinity 0.537023 Infinity
29558
751 pt -13.40370 -15.47949 10.67091 -Infinity 0.619869 -Infinity
29559
752 pt -13.53831 -13.67009 11.19913 Infinity 0.644372 Infinity
29560
753 pt -12.62791 -15.57852 8.95061 Infinity 0.646101 Infinity
29561
754 pt -9.03126 -8.80730 21.17834 -Infinity 0.595739 -Infinity
29562
755 pt -8.72983 -7.03534 21.76174 Infinity 0.603940 Infinity
29563
756 pt -7.41888 -9.78767 21.27921 Infinity 0.593598 Infinity
29564
757 pt -10.10062 -18.37840 13.55774 -Infinity 0.569886 -Infinity
29565
758 pt -11.10068 -17.13022 12.55127 Infinity 0.593678 Infinity
29566
759 pt -9.06126 -19.44149 12.39128 Infinity 0.571165 Infinity
29567
760 pt -7.73996 -19.83490 18.06084 -Infinity 0.514398 -Infinity
29568
761 pt -8.67690 -21.45781 18.30453 Infinity 0.489164 Infinity
29569
762 pt -8.39471 -18.95314 16.52303 Infinity 0.539323 Infinity
29570
763 pt -18.52992 -9.50266 12.70861 -Infinity 0.612084 -Infinity
29571
764 pt -16.76597 -9.99740 12.24516 Infinity 0.640637 Infinity
29572
765 pt -18.70051 -7.62252 12.62492 Infinity 0.631768 Infinity
29573
766 pt -12.62201 -21.03710 7.79151 -Infinity 0.555097 -Infinity
29574
767 pt -11.96667 -19.32979 7.31540 Infinity 0.593847 Infinity
29575
768 pt -14.49803 -21.07770 7.56796 Infinity 0.540142 Infinity
29576
769 pt -13.47260 -10.58725 12.60295 -Infinity 0.679600 -Infinity
29577
770 pt -12.33099 -9.39951 11.67717 Infinity 0.738550 Infinity
29578
771 pt -12.78421 -10.90334 14.33421 Infinity 0.655013 Infinity
29579
772 pt -13.66249 -21.06408 16.07793 -Infinity 0.488189 -Infinity
29580
773 pt -12.58927 -22.13041 17.21029 Infinity 0.473620 Infinity
29581
774 pt -12.56383 -19.87414 15.10426 Infinity 0.517253 Infinity
29582
775 pt -11.49719 -11.71175 17.27747 -Infinity 0.608769 -Infinity
29583
776 pt -11.11699 -10.47761 18.65711 Infinity 0.605172 Infinity
29584
777 pt -9.88753 -12.49065 16.66642 Infinity 0.622465 Infinity
29585
778 pt 1.81060 -6.67089 19.22980 -Infinity 0.698651 -Infinity
29586
779 pt 1.31046 -7.67126 20.75302 Infinity 0.648848 Infinity
29587
780 pt 1.02902 -7.43528 17.68840 Infinity 0.732247 Infinity
29588
781 pt 7.20435 -8.05429 13.79590 -Infinity 0.782222 -Infinity
29589
782 pt 6.62344 -6.57519 14.81859 Infinity 0.791360 Infinity
29590
783 pt 5.73906 -8.78191 12.85008 Infinity 0.812100 Infinity
29591
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29592
785 pt 6.99488 -13.08572 13.61587 Infinity 0.680546 Infinity
29593
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29594
787 pt 0.62301 -19.93930 12.48493 -Infinity 0.587882 -Infinity
29595
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29596
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29597
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29598
791 pt -6.56356 -10.89038 15.34192 Infinity 0.704448 Infinity
29599
792 pt -5.33477 -13.15273 17.04445 Infinity 0.636259 Infinity
29600
793 pt 4.18349 -17.03332 10.04953 -Infinity 0.668047 -Infinity
29601
794 pt 3.04779 -18.20175 11.00662 Infinity 0.634516 Infinity
29602
795 pt 3.15166 -15.97281 8.87406 Infinity 0.717378 Infinity
29603
796 pt -6.54504 -7.68306 14.28458 -Infinity 0.800704 -Infinity
29604
797 pt -5.80651 -8.26282 12.64461 Infinity 0.847133 Infinity
29605
798 pt -5.50130 -6.27068 14.98234 Infinity 0.820626 Infinity
29606
799 pt 1.50512 -20.28183 17.58943 -Infinity 0.526271 -Infinity
29607
800 pt -0.12634 -21.20715 17.82002 Infinity 0.512708 Infinity
29608
801 pt 1.78201 -19.93944 15.75172 Infinity 0.550704 Infinity
29609
802 pt 3.08732 -9.67060 11.44631 -Infinity 0.858267 -Infinity
29610
803 pt 2.31974 -10.08096 9.76896 Infinity 0.902334 Infinity
29611
804 pt 1.76467 -8.94632 12.58521 Infinity 0.854467 Infinity
29612
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29613
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29614
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29615
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29616
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29617
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29618
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29619
812 pt -1.75240 -8.84527 13.47426 Infinity 0.833075 Infinity
29620
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29621
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29622
815 pt -2.74440 -15.72081 16.96384 Infinity 0.602857 Infinity
29623
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29624
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29625
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29626
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29627
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29628
821 pt -3.37924 -10.70205 9.04820 Infinity 0.900738 Infinity
29629
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29630
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29631
824 pt 9.30095 -9.02091 16.09559 Infinity 0.680770 Infinity
29632
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29633
826 pt 15.16747 -9.43814 12.28267 -Infinity 0.655162 -Infinity
29634
827 pt 14.65660 -7.94000 13.31498 Infinity 0.668835 Infinity
29635
828 pt 16.83833 -10.08107 12.88760 Infinity 0.611166 Infinity
29636
829 pt 13.85189 -13.16259 17.73510 -Infinity 0.550900 -Infinity
29637
830 pt 13.83043 -14.08908 16.08822 Infinity 0.560219 Infinity
29638
831 pt 12.48819 -11.85440 17.74090 Infinity 0.578809 Infinity
29639
832 pt 19.65289 -11.14102 14.31440 -Infinity 0.544624 -Infinity
29640
833 pt 19.20178 -10.54847 16.05119 Infinity 0.538030 Infinity
29641
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29642
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29643
836 pt 14.68379 -18.57292 9.17464 Infinity 0.555136 Infinity
29644
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29645
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29646
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29647
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29648
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29649
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29650
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29651
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29652
845 pt 11.96337 -6.70453 8.29220 Infinity 0.853482 Infinity
29653
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29654
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29655
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29656
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29657
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29658
851 pt 12.18823 -18.69704 13.73165 Infinity 0.539211 Infinity
29659
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29660
853 pt 8.54038 -18.70955 7.59686 -Infinity 0.623916 -Infinity
29661
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29662
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29663
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29664
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29665
858 pt 15.60623 -15.77012 11.62299 Infinity 0.566018 Infinity
29666
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29667
860 pt -12.58031 0.63086 18.80636 Infinity 0.682944 Infinity
29668
861 pt -15.21831 -0.58863 17.76687 Infinity 0.660224 Infinity
29669
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29670
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29671
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29672
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29673
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29674
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29675
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29676
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29677
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29678
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29679
872 pt -17.87503 -3.87704 14.42693 Infinity 0.655894 Infinity
29680
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29681
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29682
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29683
876 pt -13.86076 -4.37499 16.56040 Infinity 0.681529 Infinity
29684
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29685
878 pt -14.57889 -0.79265 9.53671 Infinity 0.884563 Infinity
29686
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29687
880 pt -14.77929 5.29642 15.34940 -Infinity 0.734048 -Infinity
29688
881 pt -14.78921 3.83309 16.54508 Infinity 0.706280 Infinity
29689
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29690
883 pt -19.13112 -4.29164 8.40807 -Infinity 0.718960 -Infinity
29691
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29692
885 pt -19.34242 -4.24398 10.28534 Infinity 0.687405 Infinity
29693
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29694
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29695
888 pt -11.89258 -2.65037 13.02635 Infinity 0.836545 Infinity
29696
889 pt -9.44113 -1.08731 19.32085 -Infinity 0.703445 -Infinity
29697
890 pt -9.11076 -2.31293 20.72076 Infinity 0.662261 Infinity
29698
891 pt -8.28777 0.39908 19.49829 Infinity 0.719924 Infinity
29699
892 pt -18.77413 7.27244 12.60862 -Infinity 0.693386 -Infinity
29700
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29701
894 pt -18.91657 6.15792 11.08920 Infinity 0.721973 Infinity
29702
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29703
896 pt -12.15385 1.91861 11.51533 Infinity 0.930895 Infinity
29704
897 pt -13.21792 3.73908 9.26135 Infinity 0.979993 Infinity
29705
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29706
899 pt 4.26701 -4.96270 17.81706 Infinity 0.750469 Infinity
29707
900 pt 4.50981 -2.82031 15.60845 Infinity 0.859939 Infinity
29708
901 pt 0.10409 2.35483 19.91382 -Infinity 0.759710 -Infinity
29709
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29710
903 pt -0.44436 0.58157 20.26854 Infinity 0.741421 Infinity
29711
904 pt -7.25769 -1.01792 9.68710 -Infinity 1.186667 -Infinity
29712
905 pt -7.36191 0.34404 8.38124 Infinity 1.324445 Infinity
29713
906 pt -6.38326 -0.35238 11.22448 Infinity 1.128375 Infinity
29714
907 pt -3.60304 -3.69805 15.84667 -Infinity 0.855665 -Infinity
29715
908 pt -4.30930 -2.14053 15.04269 Infinity 0.912386 Infinity
29716
909 pt -2.90856 -3.26893 17.55097 Infinity 0.799481 Infinity
29717
910 pt -5.16822 0.93584 13.95799 -Infinity 1.001759 -Infinity
29718
911 pt -6.27962 2.26872 14.70584 Infinity 0.948878 Infinity
29719
912 pt -3.36800 1.50709 14.02089 Infinity 1.030357 Infinity
29720
913 pt -5.45418 -5.22758 7.37469 -Infinity 1.216470 -Infinity
29721
914 pt -6.16249 -3.72513 8.27581 Infinity 1.219495 Infinity
29722
915 pt -4.07587 -4.67141 6.20765 Infinity 1.383437 Infinity
29723
916 pt -1.29326 -2.63744 20.40035 -Infinity 0.714374 -Infinity
29724
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29725
918 pt -2.05263 -2.81105 22.12206 Infinity 0.662980 Infinity
29726
919 pt 3.32394 6.59266 15.37575 -Infinity 0.931089 -Infinity
29727
920 pt 2.22603 7.99704 16.00294 Infinity 0.895062 Infinity
29728
921 pt 2.28477 5.02981 15.15510 Infinity 0.965930 Infinity
29729
922 pt 3.11322 -0.68140 13.59847 -Infinity 1.015895 -Infinity
29730
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29731
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29732
925 pt 1.77229 -1.95877 8.96305 -Infinity 1.360923 -Infinity
29733
926 pt 2.51965 -3.14043 7.69176 Infinity 1.387398 Infinity
29734
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29735
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29736
929 pt -5.85159 4.98088 8.00264 Infinity 1.504356 Infinity
29737
930 pt -5.90137 8.06107 7.81102 Infinity 1.409851 Infinity
29738
931 pt 5.15096 3.62175 19.56522 -Infinity 0.746637 -Infinity
29739
932 pt 3.39600 2.93911 19.72394 Infinity 0.754682 Infinity
29740
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29741
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29742
935 pt -1.45900 4.50417 14.48440 Infinity 1.022436 Infinity
29743
936 pt -0.36954 2.80484 16.81938 Infinity 0.891720 Infinity
29744
937 pt -6.64425 3.06741 20.98054 -Infinity 0.698459 -Infinity
29745
938 pt -8.05623 3.05401 22.23640 Infinity 0.652721 Infinity
29746
939 pt -5.08996 3.77881 21.78624 Infinity 0.685814 Infinity
29747
940 pt -3.54158 6.82065 13.62283 -Infinity 1.040147 -Infinity
29748
941 pt -4.02153 6.90553 11.79704 Infinity 1.160861 Infinity
29749
942 pt -5.07584 6.45005 14.66195 Infinity 0.960610 Infinity
29750
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29751
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29752
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29753
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29754
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29755
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29756
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29757
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29758
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29759
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29760
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29761
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29762
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29763
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29764
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29765
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29766
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29767
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29768
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29769
962 pt 5.89005 6.69736 8.79705 Infinity 1.315314 Infinity
29770
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29771
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29772
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29773
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29774
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29775
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29776
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29777
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29778
971 pt 8.88813 0.32546 8.89909 Infinity 1.133706 Infinity
29779
972 pt 8.66397 3.10572 7.57746 Infinity 1.268483 Infinity
29780
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29781
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29782
975 pt 11.18350 3.29650 20.32800 Infinity 0.655420 Infinity
29783
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29784
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29785
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29786
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29787
980 pt 21.58447 -0.96895 20.98099 Infinity 0.506770 Infinity
29788
981 pt 20.28909 -2.38668 18.56463 Infinity 0.547023 Infinity
29789
982 pt 13.50885 -5.46811 15.27662 -Infinity 0.683591 -Infinity
29790
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29791
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29792
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29793
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29794
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29795
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29796
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29797
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29798
991 pt -11.44291 8.86345 17.26625 -Infinity 0.727553 -Infinity
29799
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29800
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29801
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29802
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29803
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29804
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29805
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29806
999 pt -17.17030 13.72298 8.52618 Infinity 0.736883 Infinity
29807
1000 pt -16.78844 12.13270 11.60131 -Infinity 0.717211 -Infinity
29808
1001 pt -17.48318 10.39531 11.86564 Infinity 0.715154 Infinity
29809
1002 pt -14.97920 12.17822 12.14505 Infinity 0.748217 Infinity
29810
1003 pt -11.12401 8.79058 10.23757 -Infinity 0.978516 -Infinity
29811
1004 pt -11.71679 8.82633 8.44358 Infinity 1.026294 Infinity
29812
1005 pt -11.29041 7.03712 10.92223 Infinity 0.971125 Infinity
29813
1006 pt -21.45678 14.31270 12.50289 -Infinity 0.589544 -Infinity
29814
1007 pt -21.54152 15.99517 13.35914 Infinity 0.564564 Infinity
29815
1008 pt -19.64983 13.79728 12.30201 Infinity 0.628454 Infinity
29816
1009 pt -16.10633 17.16415 16.42899 -Infinity 0.590760 -Infinity
29817
1010 pt -14.88177 15.81374 15.93106 Infinity 0.630031 Infinity
29818
1011 pt -15.33966 18.86107 16.10689 Infinity 0.584954 Infinity
29819
1012 pt -7.99356 20.83351 10.28600 -Infinity 0.727874 -Infinity
29820
1013 pt -9.74673 20.75069 9.58558 Infinity 0.719794 Infinity
29821
1014 pt -6.77769 21.23807 8.89709 Infinity 0.753375 Infinity
29822
1015 pt -0.48096 9.94792 16.49141 -Infinity 0.855191 -Infinity
29823
1016 pt -1.63714 8.87621 15.44942 Infinity 0.918670 Infinity
29824
1017 pt -1.23474 11.66782 16.70313 Infinity 0.817722 Infinity
29825
1018 pt 3.68073 8.66126 10.59626 -Infinity 1.192498 -Infinity
29826
1019 pt 3.34557 7.55119 12.08840 Infinity 1.118631 Infinity
29827
1020 pt 4.73092 10.13819 11.13185 Infinity 1.079515 Infinity
29828
1021 pt -1.30132 18.55492 10.05201 -Infinity 0.856109 -Infinity
29829
1022 pt -1.82918 17.95008 8.34128 Infinity 0.927465 Infinity
29830
1023 pt -2.56976 17.99795 11.33728 Infinity 0.835325 Infinity
29831
1024 pt -2.85349 14.51689 16.98705 -Infinity 0.752511 -Infinity
29832
1025 pt -3.94520 15.24942 15.62961 Infinity 0.773617 Infinity
29833
1026 pt -3.85796 14.34022 18.57792 Infinity 0.705799 Infinity
29834
1027 pt -3.24105 20.38192 17.67302 -Infinity 0.631628 -Infinity
29835
1028 pt -3.66431 19.21288 16.24991 Infinity 0.679153 Infinity
29836
1029 pt -4.67239 21.58459 17.94859 Infinity 0.603140 Infinity
29837
1030 pt -5.50452 17.17532 13.19699 -Infinity 0.786216 -Infinity
29838
1031 pt -6.44575 15.59294 12.77130 Infinity 0.829607 Infinity
29839
1032 pt -6.37051 18.65682 12.40559 Infinity 0.759344 Infinity
29840
1033 pt -0.02939 6.98844 7.01504 -Infinity 1.806935 -Infinity
29841
1034 pt 1.14893 7.71724 8.30013 Infinity 1.535249 Infinity
29842
1035 pt -1.77528 6.90800 7.73369 Infinity 1.672643 Infinity
29843
1036 pt 6.77364 11.90334 13.32147 -Infinity 0.881332 -Infinity
29844
1037 pt 5.80173 11.93368 14.94182 Infinity 0.835851 Infinity
29845
1038 pt 7.65523 13.55779 13.08344 Infinity 0.835821 Infinity
29846
1039 pt 5.41852 14.45454 19.72900 -Infinity 0.660613 -Infinity
29847
1040 pt 4.29088 15.23998 18.43186 Infinity 0.688586 Infinity
29848
1041 pt 7.21714 14.89356 19.35044 Infinity 0.650428 Infinity
29849
1042 pt 2.49850 10.30866 20.89699 -Infinity 0.689872 -Infinity
29850
1043 pt 3.64088 11.79062 20.63277 Infinity 0.678215 Infinity
29851
1044 pt 1.29429 10.17383 19.44690 Infinity 0.739030 Infinity
29852
1045 pt 2.09371 16.12599 16.25692 -Infinity 0.741943 -Infinity
29853
1046 pt 2.10748 16.98536 14.57396 Infinity 0.769940 Infinity
29854
1047 pt 0.33338 15.57741 16.67087 Infinity 0.745853 Infinity
29855
1048 pt 14.28633 10.91695 9.52733 -Infinity 0.816616 -Infinity
29856
1049 pt 13.02180 9.86394 10.45641 Infinity 0.849692 Infinity
29857
1050 pt 16.02887 10.46100 10.09892 Infinity 0.758865 Infinity
29858
1051 pt 14.29889 13.47433 16.69262 -Infinity 0.636235 -Infinity
29859
1052 pt 15.92983 13.60116 17.63867 Infinity 0.596107 Infinity
29860
1053 pt 14.47159 14.33509 15.01920 Infinity 0.654064 Infinity
29861
1054 pt 17.03841 19.26056 9.68544 -Infinity 0.619081 -Infinity
29862
1055 pt 18.47325 20.07918 10.60312 Infinity 0.577602 Infinity
29863
1056 pt 15.79856 20.58105 9.14678 Infinity 0.623827 Infinity
29864
1057 pt 9.26621 16.36008 13.02087 -Infinity 0.748423 -Infinity
29865
1058 pt 11.08685 16.06847 12.60696 Infinity 0.732722 Infinity
29866
1059 pt 8.92706 18.21738 13.10116 Infinity 0.712909 Infinity
29867
1060 pt 10.65504 21.05001 19.19416 -Infinity 0.551954 -Infinity
29868
1061 pt 10.86232 21.99384 17.57019 Infinity 0.560291 Infinity
29869
1062 pt 8.92991 21.37180 19.89520 Infinity 0.550364 Infinity
29870
1063 pt 15.69520 8.39276 16.71258 -Infinity 0.652062 -Infinity
29871
1064 pt 17.58460 8.39920 16.74756 Infinity 0.618988 Infinity
29872
1065 pt 15.05866 10.17177 16.68110 Infinity 0.652723 Infinity
29873
1066 pt 19.27244 9.98683 10.68192 -Infinity 0.670430 -Infinity
29874
1067 pt 19.84426 11.65581 11.35911 Infinity 0.635955 Infinity
29875
1068 pt 20.29169 8.60385 11.46905 Infinity 0.645436 Infinity
29876
1069 pt 14.24259 15.54852 11.91663 -Infinity 0.695980 -Infinity
29877
1070 pt 14.42128 13.96236 10.90507 Infinity 0.735676 Infinity
29878
1071 pt 15.37541 16.88250 11.20370 Infinity 0.665107 Infinity
29879
1072 pt 18.29873 13.25479 20.01464 -Infinity 0.535761 -Infinity
29880
1073 pt 18.56623 15.10155 20.31293 Infinity 0.518103 Infinity
29881
1074 pt 19.95323 12.34986 20.13632 Infinity 0.520385 Infinity
29882
1075 pt 20.88558 8.61600 16.89172 -Infinity 0.563661 -Infinity
29883
1076 pt 21.94354 7.99195 15.45563 Infinity 0.566876 Infinity
29884
1077 pt 21.96532 9.60164 18.08911 Infinity 0.530835 Infinity
29885
1078 pt 10.59272 15.77113 19.59746 -Infinity 0.605106 -Infinity
29886
1079 pt 10.73962 17.64400 19.39297 Infinity 0.586955 Infinity
29887
1080 pt 11.68371 14.90919 18.31767 Infinity 0.626179 Infinity
29888
1081 pt 10.49782 8.34353 11.76116 -Infinity 0.911391 -Infinity
29889
1082 pt 11.20179 7.01541 12.90640 Infinity 0.862302 Infinity
29890
1083 pt 9.29399 9.43500 12.72581 Infinity 0.893578 Infinity
29896
1 a.u. = 0.171524 10**(-8) dyn/esu
29898
Atom X Y Z Electric field (a.u.)
29900
------------------------------------------------------------------------------------------------
29901
------------------------------------------------------------------------
29903
------------------------------------------------------------------------
29904
quantum energy -114.253233258 (-.299972E+06 kjoule/mol)
29905
quantum energy adjusted -114.253233258 (-.299972E+06 kjoule/mol)
29906
quantum energy internal -114.356446432 (-.300243E+06 kjoule/mol)
29907
Bq-nuclear energy 0.103213174 (0.270986E+03 kjoule/mol)
29908
Bq-electron energy 0.000000000 (0.000000E+00 kjoule/mol)
29909
classical energy -7.460522115 (-.195876E+05 kjoule/mol)
29910
total qmmm energy -121.713755373 (-.319559E+06 kjoule/mol)
29911
------------------------------------------------------------------------
29913
reducing step 3.12500000000000007E-4 1.78912595433060588E-5 1.00000000000000008E-5
29914
Total number of active Bq charges 1083
29915
frozen_density,esp T T
29916
disabling frozen_density,esp due to active qm atoms
29922
ao basis = "ao basis"
29929
input vectors = /home/d3p975/codes/nwchem-svn/nwchem/QA/tests/tce_qmmm_ccsd_opt/perm/fmd.movecs
29930
output vectors = /home/d3p975/codes/nwchem-svn/nwchem/QA/tests/tce_qmmm_ccsd_opt/perm/fmd.movecs
29935
Summary of "ao basis" -> "ao basis" (cartesian)
29936
------------------------------------------------------------------------------
29937
Tag Description Shells Functions and Types
29938
---------------- ------------------------------ ------ ---------------------
29939
O cc-pVDZ 6 15 3s2p1d
29940
C cc-pVDZ 6 15 3s2p1d
29945
Forming initial guess at 1019.4s
29948
Loading old vectors from job with title :
29952
Nuclear repulsion energy = 31.050211451111156
29953
Bq nuclear interaction energy = 0.10323226039911401
29955
Starting SCF solution at 1019.4s
29959
----------------------------------------------
29960
Quadratically convergent ROHF
29962
Convergence threshold : 1.000E-10
29963
Maximum no. of iterations : 200
29964
Final Fock-matrix accuracy: 0.000E+00
29965
----------------------------------------------
29968
#quartets = 1.471E+04 #integrals = 3.762E+05 #direct = 0.0% #cached =100.0%
29971
Integral file = /scratch/fmd.aoints.00
29972
Record size in doubles = 65536 No. of integs per rec = 43688
29973
Max. records in memory = 2 Max. records in file = 225827
29974
No. of bits per label = 8 No. of bits per value = 64
29977
File balance: exchanges= 0 moved= 0 time= 0.0
29979
Nuclear repulsion energy = 31.050211451111156
29980
Bq nuclear interaction energy = 0.10323226039911401
29982
iter energy gnorm gmax time
29983
----- ------------------- --------- --------- --------
29984
1 -113.9148206347 2.85E-04 7.84E-05 908.7
29985
Nuclear repulsion energy = 31.050211451111156
29986
Bq nuclear interaction energy = 0.10323226039911401
29987
2 -113.9148206409 3.32E-08 9.54E-09 909.0
29988
Nuclear repulsion energy = 31.050211451111156
29989
Bq nuclear interaction energy = 0.10323226039911401
29990
3 -113.9148206409 7.71E-12 2.73E-12 909.3
29991
Nuclear repulsion energy = 31.050211451111156
29992
Bq nuclear interaction energy = 0.10323226039911401
29998
Total SCF energy = -113.914820640927
29999
One-electron energy = -217.224569807188
30000
Two-electron energy = 72.156305454751
30001
Nuclear repulsion energy = 31.153443711510
30003
Time for solution = 0.7s
30029
ROHF Final Molecular Orbital Analysis
30030
-------------------------------------
30032
Vector 2 Occ=2.000000E+00 E=-1.134277E+01
30033
MO Center= 2.3E-01, 2.2E+00, -5.9E-01, r^2= 2.7E-02
30034
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
30035
----- ------------ --------------- ----- ------------ ---------------
30038
Vector 3 Occ=2.000000E+00 E=-1.395940E+00
30039
MO Center= -5.8E-01, 1.8E+00, -5.6E-01, r^2= 5.0E-01
30040
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
30041
----- ------------ --------------- ----- ------------ ---------------
30042
2 0.409265 1 O s 3 0.388527 1 O s
30043
17 0.207449 2 C s 19 -0.163893 2 C px
30045
Vector 4 Occ=2.000000E+00 E=-8.542142E-01
30046
MO Center= 1.8E-01, 2.1E+00, -5.8E-01, r^2= 1.4E+00
30047
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
30048
----- ------------ --------------- ----- ------------ ---------------
30049
17 0.355308 2 C s 3 -0.260822 1 O s
30050
18 0.234651 2 C s 31 0.228270 3 H s
30051
36 0.225499 4 H s 2 -0.192091 1 O s
30054
Vector 5 Occ=2.000000E+00 E=-6.769078E-01
30055
MO Center= -2.1E-02, 2.0E+00, -5.8E-01, r^2= 1.3E+00
30056
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
30057
----- ------------ --------------- ----- ------------ ---------------
30058
21 0.368760 2 C pz 6 0.334109 1 O pz
30059
36 -0.235797 4 H s 31 0.233055 3 H s
30062
Vector 6 Occ=2.000000E+00 E=-6.504466E-01
30063
MO Center= -5.0E-01, 1.8E+00, -5.6E-01, r^2= 1.3E+00
30064
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
30065
----- ------------ --------------- ----- ------------ ---------------
30066
4 0.436988 1 O px 19 -0.350885 2 C px
30067
7 0.290085 1 O px 3 -0.254974 1 O s
30068
5 0.203464 1 O py 20 -0.170825 2 C py
30070
Vector 7 Occ=2.000000E+00 E=-5.267580E-01
30071
MO Center= -5.5E-01, 1.8E+00, -5.6E-01, r^2= 9.2E-01
30072
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
30073
----- ------------ --------------- ----- ------------ ---------------
30074
5 0.431555 1 O py 8 0.313148 1 O py
30075
20 0.262830 2 C py 4 -0.192851 1 O px
30076
6 0.182596 1 O pz 23 0.150594 2 C py
30078
Vector 8 Occ=2.000000E+00 E=-4.363100E-01
30079
MO Center= -2.7E-01, 1.9E+00, -5.7E-01, r^2= 1.6E+00
30080
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
30081
----- ------------ --------------- ----- ------------ ---------------
30082
6 0.486173 1 O pz 9 0.408285 1 O pz
30083
31 -0.255529 3 H s 36 0.254873 4 H s
30084
21 -0.216560 2 C pz 5 -0.164215 1 O py
30086
Vector 9 Occ=0.000000E+00 E= 1.468525E-01
30087
MO Center= 4.2E-02, 2.1E+00, -5.8E-01, r^2= 1.7E+00
30088
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
30089
----- ------------ --------------- ----- ------------ ---------------
30090
23 0.584611 2 C py 8 -0.417495 1 O py
30091
20 0.370596 2 C py 5 -0.300425 1 O py
30092
22 -0.275764 2 C px 24 0.250268 2 C pz
30093
7 0.195760 1 O px 9 -0.175825 1 O pz
30094
19 -0.173637 2 C px 21 0.157098 2 C pz
30096
Vector 10 Occ=0.000000E+00 E= 2.233930E-01
30097
MO Center= 9.4E-01, 2.4E+00, -4.5E-01, r^2= 4.0E+00
30098
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
30099
----- ------------ --------------- ----- ------------ ---------------
30100
18 1.913279 2 C s 32 -1.500887 3 H s
30101
37 -1.238382 4 H s 22 0.605888 2 C px
30102
23 0.257382 2 C py 19 0.166063 2 C px
30104
Vector 11 Occ=0.000000E+00 E= 2.911746E-01
30105
MO Center= 9.8E-01, 2.6E+00, -7.9E-01, r^2= 4.1E+00
30106
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
30107
----- ------------ --------------- ----- ------------ ---------------
30108
37 1.929933 4 H s 32 -1.748508 3 H s
30109
24 1.292626 2 C pz 23 -0.448549 2 C py
30110
21 0.340852 2 C pz 9 -0.273211 1 O pz
30113
Vector 12 Occ=0.000000E+00 E= 3.718872E-01
30114
MO Center= 1.1E-01, 2.1E+00, -5.9E-01, r^2= 3.0E+00
30115
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
30116
----- ------------ --------------- ----- ------------ ---------------
30117
3 1.813806 1 O s 22 1.556695 2 C px
30118
18 -1.383498 2 C s 23 0.739569 2 C py
30119
7 0.622557 1 O px 8 0.297671 1 O py
30121
Vector 13 Occ=0.000000E+00 E= 6.835886E-01
30122
MO Center= 6.7E-01, 2.5E+00, -5.6E-01, r^2= 1.7E+00
30123
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
30124
----- ------------ --------------- ----- ------------ ---------------
30125
18 1.047341 2 C s 31 -0.765150 3 H s
30126
36 -0.748050 4 H s 30 -0.297016 2 C dzz
30127
22 0.291340 2 C px 29 0.282368 2 C dyz
30128
23 0.277863 2 C py 17 -0.213979 2 C s
30129
32 0.198158 3 H s 16 -0.195837 2 C s
30131
Vector 14 Occ=0.000000E+00 E= 6.960179E-01
30132
MO Center= 3.0E-01, 2.1E+00, -6.3E-01, r^2= 1.9E+00
30133
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
30134
----- ------------ --------------- ----- ------------ ---------------
30135
23 0.893188 2 C py 20 -0.866199 2 C py
30136
22 -0.458214 2 C px 19 0.400974 2 C px
30137
21 -0.360784 2 C pz 24 0.357388 2 C pz
30139
Vector 15 Occ=0.000000E+00 E= 7.561348E-01
30140
MO Center= 5.1E-02, 2.1E+00, -5.9E-01, r^2= 2.3E+00
30141
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
30142
----- ------------ --------------- ----- ------------ ---------------
30143
24 1.927865 2 C pz 36 0.704851 4 H s
30144
31 -0.692307 3 H s 32 -0.619810 3 H s
30145
23 -0.618691 2 C py 37 0.617899 4 H s
30146
22 0.374375 2 C px 9 -0.324962 1 O pz
30147
6 -0.297101 1 O pz 21 -0.277381 2 C pz
30149
Vector 16 Occ=0.000000E+00 E= 8.352884E-01
30150
MO Center= 5.5E-01, 2.3E+00, -5.8E-01, r^2= 2.5E+00
30151
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
30152
----- ------------ --------------- ----- ------------ ---------------
30153
24 1.508965 2 C pz 32 -1.501559 3 H s
30154
37 1.452791 4 H s 21 -0.764321 2 C pz
30155
27 0.524043 2 C dxz 23 -0.481476 2 C py
30156
36 -0.364015 4 H s 31 0.351204 3 H s
30157
22 0.325593 2 C px 29 0.265112 2 C dyz
30159
Vector 17 Occ=0.000000E+00 E= 8.938368E-01
30160
MO Center= -2.5E-02, 2.0E+00, -5.8E-01, r^2= 1.5E+00
30161
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
30162
----- ------------ --------------- ----- ------------ ---------------
30163
22 0.952237 2 C px 19 -0.904095 2 C px
30164
18 0.902506 2 C s 37 -0.528118 4 H s
30165
23 0.476835 2 C py 32 -0.466195 3 H s
30166
20 -0.444679 2 C py 7 -0.420215 1 O px
30167
26 -0.308094 2 C dxy 4 -0.267711 1 O px
30169
Vector 18 Occ=0.000000E+00 E= 9.595999E-01
30170
MO Center= 5.8E-01, 2.3E+00, -6.3E-01, r^2= 2.7E+00
30171
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
30172
----- ------------ --------------- ----- ------------ ---------------
30173
18 4.074421 2 C s 17 -1.676729 2 C s
30174
37 -1.316573 4 H s 32 -1.257058 3 H s
30175
16 -0.786830 2 C s 22 0.481421 2 C px
30176
3 -0.455724 1 O s 28 -0.288327 2 C dyy
30177
30 -0.241086 2 C dzz 23 0.237899 2 C py
30182
x = -0.59850852 y = 3.58515806 z = -1.07151768
30184
moments of inertia (a.u.)
30186
15.135248812729 -18.082695093354 0.483965812480
30187
-18.082695093354 44.139529499014 2.587457420885
30188
0.483965812480 2.587457420885 47.969162087263
30190
Mulliken analysis of the total density
30191
--------------------------------------
30193
Atom Charge Shell Charges
30194
----------- ------ -------------------------------------------------------
30195
1 O 8 8.47 2.00 0.83 0.92 2.79 1.90 0.02
30196
2 C 6 5.69 2.00 0.70 0.44 1.82 0.59 0.12
30197
3 H 1 0.93 0.75 0.15 0.03
30198
4 H 1 0.92 0.75 0.13 0.03
30200
Multipole analysis of the density wrt the origin
30201
------------------------------------------------
30203
L x y z total open nuclear
30204
- - - - ----- ---- -------
30205
0 0 0 0 0.000000 0.000000 16.000000
30207
1 1 0 0 1.400609 0.000000 -7.569449
30208
1 0 1 0 0.652463 0.000000 58.332201
30209
1 0 0 1 -0.074588 0.000000 -17.227000
30211
2 2 0 0 -10.036015 0.000000 26.753500
30212
2 1 1 0 4.672714 0.000000 -16.887157
30213
2 1 0 1 -1.468334 0.000000 8.297596
30214
2 0 2 0 -3.684910 0.000000 218.589964
30215
2 0 1 1 -1.062720 0.000000 -65.070469
30216
2 0 0 2 -8.051995 0.000000 24.130759
30218
Nuclear repulsion energy = 31.050211451111156
30219
Bq nuclear interaction energy = 0.10323226039911401
30221
Parallel integral file used 27 records with 0 large values
30223
NWChem Extensible Many-Electron Theory Module
30224
---------------------------------------------
30226
======================================================
30227
This portion of the program was automatically
30228
generated by a Tensor Contraction Engine (TCE).
30229
The development of this portion of the program
30230
and TCE was supported by US Department of Energy,
30231
Office of Science, Office of Basic Energy Science.
30232
TCE is a product of Battelle and PNNL.
30233
Please cite: S.Hirata, J.Phys.Chem.A 107, 9887 (2003).
30234
======================================================
30236
General Information
30237
-------------------
30238
Number of processors : 27
30239
Wavefunction type : Restricted Hartree-Fock
30240
No. of electrons : 16
30241
Alpha electrons : 8
30243
No. of orbitals : 80
30244
Alpha orbitals : 40
30246
Alpha frozen cores : 0
30247
Beta frozen cores : 0
30248
Alpha frozen virtuals : 0
30249
Beta frozen virtuals : 0
30250
Spin multiplicity : singlet
30251
Number of AO functions : 40
30252
Number of AO shells : 18
30253
Use of symmetry is : off
30254
Symmetry adaption is : off
30255
Schwarz screening : 0.00E+00
30257
Correlation Information
30258
-----------------------
30259
Calculation type : Coupled-cluster singles & doubles
30260
Perturbative correction : none
30261
Max iterations : 200
30262
Residual threshold : 0.10E-05
30263
T(0) DIIS level shift : 0.00E+00
30264
L(0) DIIS level shift : 0.00E+00
30265
T(1) DIIS level shift : 0.00E+00
30266
L(1) DIIS level shift : 0.00E+00
30267
T(R) DIIS level shift : 0.00E+00
30268
T(I) DIIS level shift : 0.00E+00
30269
CC-T/L Amplitude update : 5-th order DIIS
30270
I/O scheme : Global Array Library
30274
Available GA space size is 2654059007 doubles
30275
Available MA space size is 49130121 doubles
30277
Maximum block size supplied by input
30278
Maximum block size 12 doubles
30282
Block Spin Irrep Size Offset Alpha
30283
-------------------------------------------------
30284
1 alpha a 8 doubles 0 1
30285
2 beta a 8 doubles 8 1
30286
3 alpha a 10 doubles 16 3
30287
4 alpha a 11 doubles 26 4
30288
5 alpha a 11 doubles 37 5
30289
6 beta a 10 doubles 48 3
30290
7 beta a 11 doubles 58 4
30291
8 beta a 11 doubles 69 5
30293
Global array virtual files algorithm will be used
30295
Parallel file system coherency ......... OK
30297
#quartets = 1.471E+04 #integrals = 3.762E+05 #direct = 0.0% #cached =100.0%
30300
Integral file = /scratch/fmd.aoints.00
30301
Record size in doubles = 65536 No. of integs per rec = 43688
30302
Max. records in memory = 2 Max. records in file = 225827
30303
No. of bits per label = 8 No. of bits per value = 64
30306
File balance: exchanges= 0 moved= 0 time= 0.0
30309
Fock matrix recomputed
30310
1-e file size = 1600
30311
1-e file name = /scratch/fmd.f1
30312
1-e file handle = -993
30313
Cpu & wall time / sec 0.1 0.1
30315
2-e (intermediate) file size = 5769600
30316
2-e (intermediate) file name = /scratch/fmd.v2i
30317
Cpu & wall time / sec 0.1 0.1
30319
2-e file size = 3566009
30320
2-e file name = /scratch/fmd.v2
30321
2-e file handle = -991
30322
Cpu & wall time / sec 0.1 0.1
30325
t1 file name = /scratch/fmd.t1
30326
t1 file handle = -992
30327
Cpu & wall time / sec 0.0
30328
before tce_guess_t2
30331
t2 file size = 109248
30332
t2 file name = /scratch/fmd.t2
30333
t2 file handle = -989
30334
Cpu & wall time / sec 0.0
30337
-----------------------------------------------------------------
30338
Iter Residuum Correlation Cpu Wall V2*C2
30339
-----------------------------------------------------------------
30340
1 0.1517290285976 -0.3227540410437 0.2 0.2 0.0
30341
2 0.0553006514444 -0.3256206612164 0.2 0.2 0.0
30342
3 0.0173743756521 -0.3360888407394 0.2 0.2 0.0
30343
4 0.0105515912392 -0.3366232949118 0.2 0.2 0.0
30344
5 0.0044770507516 -0.3378582849277 0.2 0.2 0.0
30345
MICROCYCLE DIIS UPDATE: 5 5
30346
6 0.0016791992075 -0.3382848193829 0.2 0.2 0.0
30347
7 0.0007069949560 -0.3383946881876 0.2 0.2 0.0
30348
8 0.0003970858522 -0.3383984404902 0.2 0.2 0.0
30349
9 0.0002214982931 -0.3384028241354 0.2 0.2 0.0
30350
10 0.0001326934254 -0.3384079664152 0.2 0.2 0.0
30351
MICROCYCLE DIIS UPDATE: 10 5
30352
11 0.0000239698727 -0.3384145947324 0.2 0.2 0.0
30353
12 0.0000134155111 -0.3384151513464 0.2 0.2 0.0
30354
13 0.0000091724255 -0.3384161665970 0.2 0.2 0.0
30355
14 0.0000069558419 -0.3384162197158 0.2 0.2 0.0
30356
15 0.0000053481679 -0.3384163416605 0.2 0.2 0.0
30357
MICROCYCLE DIIS UPDATE: 15 5
30358
16 0.0000011689590 -0.3384163332957 0.2 0.2 0.0
30359
17 0.0000005984884 -0.3384164241144 0.2 0.2 0.0
30360
-----------------------------------------------------------------
30361
Iterations converged
30362
CCSD correlation energy / hartree = -0.338416424114440
30363
CCSD total energy / hartree = -114.253237065040977
30365
Singles contributions
30367
Doubles contributions
30368
9a (alpha) 9a (beta ) --- 7a (alpha) 7a (beta ) -0.1173557851
30370
CCSD Lambda iterations
30371
--------------------------------------
30372
Iter Residuum Cpu Wall
30373
--------------------------------------
30374
1 1.6754236653587 0.4 0.6
30375
2 0.0293353324071 0.4 0.6
30376
3 0.0031835708324 0.5 0.6
30377
4 0.0003679181987 0.5 0.6
30378
5 0.0001069780839 0.5 0.6
30379
MICROCYCLE DIIS UPDATE: 5 5
30380
6 0.0000239845810 0.5 0.6
30381
7 0.0000046353760 0.5 0.6
30382
8 0.0000014899819 0.5 0.6
30383
9 0.0000004834397 0.5 0.6
30384
--------------------------------------
30385
Iterations converged
30387
MO Z-VEC iterations
30388
--------------------------------------
30389
Iter Residuum Cpu Wall
30390
--------------------------------------
30391
1 0.0234883869335 0.0 0.0
30392
2 0.0076583453482 0.0 0.0
30393
3 0.0030608096854 0.0 0.0
30394
4 0.0027685253207 0.0 0.0
30395
5 0.0017246335197 0.0 0.0
30396
MICROCYCLE DIIS UPDATE: 5 5
30397
6 0.0003201388559 0.0 0.0
30398
7 0.0001727051494 0.0 0.0
30399
8 0.0000813194690 0.0 0.0
30400
9 0.0000692016266 0.0 0.0
30401
10 0.0000366698823 0.0 0.0
30402
MICROCYCLE DIIS UPDATE: 10 5
30403
11 0.0000046558914 0.0 0.0
30404
12 0.0000023173491 0.0 0.0
30405
13 0.0000011621119 0.0 0.0
30406
14 0.0000009787745 0.0 0.0
30407
--------------------------------------
30408
Iterations converged
30410
NWChem Gradients Module
30411
-----------------------
30415
wavefunction = TCE RHF CCSD
30419
ccsd ENERGY GRADIENTS
30421
atom coordinates gradient
30423
1 O -1.632009 3.087144 -1.028368 0.013285 0.001996 0.002529
30424
2 C 0.438886 4.084590 -1.115010 -0.000506 -0.000142 0.000377
30425
3 H 1.757897 4.021846 0.509771 -0.000236 0.000070 -0.000142
30426
4 H 1.095415 5.105663 -2.819766 -0.000850 0.000434 0.000292
30428
----------------------------------------
30429
| Time | 1-e(secs) | 2-e(secs) |
30430
----------------------------------------
30431
| CPU | 0.07 | 0.13 |
30432
----------------------------------------
30433
| WALL | 0.14 | 0.14 |
30434
----------------------------------------
30436
Parallel integral file used 27 records with 0 large values
30438
Bq nuclear interaction energy = 0.10323226039911401
30439
Calculating forces on classical charges
30440
---------------------------------------
30441
Total number of charges 1083
30442
NWChem Property Module
30443
----------------------
30447
---------------------------------------------
30448
Electrostatic potential/diamagnetic shielding
30449
---------------------------------------------
30451
1 a.u. = 9.07618 esu/cm ( or statvolts )
30452
Point X Y Z Total Potential(a.u.) Diamagnetic shielding(a.u.) External Bq potential
30453
1 pt -10.84723 -20.95205 -11.78145 -Infinity 0.557457 -Infinity
30454
2 pt -9.86955 -19.74675 -10.70328 Infinity 0.594242 Infinity
30455
3 pt -12.23975 -21.72295 -10.76279 Infinity 0.541875 Infinity
30456
4 pt -13.12431 -10.66220 -18.89845 -Infinity 0.613891 -Infinity
30457
5 pt -13.17479 -12.55121 -18.91047 Infinity 0.588770 Infinity
30458
6 pt -11.56403 -10.06708 -19.78300 Infinity 0.623516 Infinity
30459
7 pt -16.79698 -8.14740 -16.53412 -Infinity 0.632356 -Infinity
30460
8 pt -17.27884 -9.23444 -15.06537 Infinity 0.632788 Infinity
30461
9 pt -15.30717 -8.90378 -17.41696 Infinity 0.632086 Infinity
30462
10 pt -17.30898 -10.90329 -12.00970 -Infinity 0.648114 -Infinity
30463
11 pt -18.50874 -9.94796 -10.90563 Infinity 0.652624 Infinity
30464
12 pt -16.21978 -12.01827 -10.94126 Infinity 0.661209 Infinity
30465
13 pt -12.84229 -7.70713 -11.71752 -Infinity 0.808892 -Infinity
30466
14 pt -11.59319 -8.74067 -10.74664 Infinity 0.835261 Infinity
30467
15 pt -14.34453 -8.77081 -12.14520 Infinity 0.742131 Infinity
30468
16 pt -16.85206 -17.68011 -11.06739 -Infinity 0.559569 -Infinity
30469
17 pt -15.76931 -16.30360 -10.35749 Infinity 0.599191 Infinity
30470
18 pt -18.60008 -17.53383 -10.36448 Infinity 0.546360 Infinity
30471
19 pt -7.79410 -18.14783 -8.64777 -Infinity 0.662513 -Infinity
30472
20 pt -7.25183 -19.87406 -8.10266 Infinity 0.629524 Infinity
30473
21 pt -7.82011 -16.99302 -7.15218 Infinity 0.705653 Infinity
30474
22 pt -14.30790 -19.61047 -15.39045 -Infinity 0.523833 -Infinity
30475
23 pt -12.76607 -20.03958 -14.38561 Infinity 0.537712 Infinity
30476
24 pt -15.61428 -18.85789 -14.25112 Infinity 0.531982 Infinity
30477
25 pt -9.64832 -10.74055 -8.91994 -Infinity 0.855949 -Infinity
30478
26 pt -9.72122 -10.58856 -7.03775 Infinity 0.894238 Infinity
30479
27 pt -7.84570 -10.70875 -9.48617 Infinity 0.882576 Infinity
30480
28 pt -14.24333 -13.62735 -8.86931 -Infinity 0.686037 -Infinity
30481
29 pt -14.63664 -13.92470 -7.04504 Infinity 0.688616 Infinity
30482
30 pt -12.50957 -12.89284 -9.02938 Infinity 0.732258 Infinity
30483
31 pt 4.17235 -20.91808 -8.89512 -Infinity 0.610426 -Infinity
30484
32 pt 5.42298 -22.28335 -8.51689 Infinity 0.579036 Infinity
30485
33 pt 3.29183 -21.30218 -10.52245 Infinity 0.593604 Infinity
30486
34 pt 4.77666 -17.49378 -15.08387 -Infinity 0.617177 -Infinity
30487
35 pt 6.09922 -17.11459 -13.78846 Infinity 0.633687 Infinity
30488
36 pt 4.17903 -19.27407 -14.87300 Infinity 0.588783 Infinity
30489
37 pt -4.46367 -10.02339 -10.08088 -Infinity 0.951353 -Infinity
30490
38 pt -3.35375 -11.34455 -10.85139 Infinity 0.883458 Infinity
30491
39 pt -3.47826 -9.03697 -8.80534 Infinity 1.057394 Infinity
30492
40 pt -1.01914 -20.36333 -12.13302 -Infinity 0.605330 -Infinity
30493
41 pt -1.27340 -21.50243 -13.61924 Infinity 0.569274 Infinity
30494
42 pt -1.11261 -21.37482 -10.53953 Infinity 0.598160 Infinity
30495
43 pt -0.08714 -17.77606 -20.87779 -Infinity 0.548329 -Infinity
30496
44 pt -0.21104 -18.93209 -19.38806 Infinity 0.550314 Infinity
30497
45 pt 0.74838 -18.68106 -22.31094 Infinity 0.518743 Infinity
30498
46 pt 4.93315 -8.49329 -13.92388 -Infinity 0.863026 -Infinity
30499
47 pt 3.82291 -9.85485 -14.61999 Infinity 0.814450 Infinity
30500
48 pt 4.25571 -6.80447 -14.43384 Infinity 0.905829 Infinity
30501
49 pt 7.03823 -16.37429 -19.51718 -Infinity 0.565968 -Infinity
30502
50 pt 6.72082 -17.79075 -20.72712 Infinity 0.533574 Infinity
30503
51 pt 6.03643 -16.65550 -17.93972 Infinity 0.587925 Infinity
30504
52 pt -4.71592 -16.93543 -12.62987 -Infinity 0.667937 -Infinity
30505
53 pt -3.37893 -18.26962 -12.57116 Infinity 0.642599 Infinity
30506
54 pt -5.96767 -17.23525 -11.24629 Infinity 0.671437 Infinity
30507
55 pt -4.53578 -11.35453 -20.77148 -Infinity 0.637968 -Infinity
30508
56 pt -4.98153 -12.25794 -19.17266 Infinity 0.653174 Infinity
30509
57 pt -3.82525 -12.58688 -22.01547 Infinity 0.599243 Infinity
30510
58 pt -0.95776 -13.55463 -11.75498 -Infinity 0.789890 -Infinity
30511
59 pt 0.47151 -14.29958 -10.76843 Infinity 0.783137 Infinity
30512
60 pt -2.27347 -14.87724 -12.05610 Infinity 0.740742 Infinity
30513
61 pt 2.07894 -12.46035 -15.73871 -Infinity 0.728700 -Infinity
30514
62 pt 2.94443 -14.11608 -16.02248 Infinity 0.681109 Infinity
30515
63 pt 0.77919 -12.65242 -14.38046 Infinity 0.758437 Infinity
30516
64 pt -6.00155 -13.76488 -16.51291 -Infinity 0.669740 -Infinity
30517
65 pt -7.05935 -12.50397 -15.58435 Infinity 0.706367 Infinity
30518
66 pt -5.38350 -15.08093 -15.30581 Infinity 0.666628 Infinity
30519
67 pt 7.22251 -11.46513 -21.36664 -Infinity 0.604134 -Infinity
30520
68 pt 7.28986 -13.27498 -20.82723 Infinity 0.588660 Infinity
30521
69 pt 5.42113 -10.94075 -21.59271 Infinity 0.617987 Infinity
30522
70 pt 3.25647 -15.52294 -9.20442 -Infinity 0.755415 -Infinity
30523
71 pt 3.17873 -17.38271 -8.87842 Infinity 0.703404 Infinity
30524
72 pt 4.99113 -15.05733 -9.79198 Infinity 0.748216 Infinity
30525
73 pt 0.15301 -9.35988 -19.53028 -Infinity 0.707782 -Infinity
30526
74 pt -1.61597 -9.88573 -19.93682 Infinity 0.688158 Infinity
30527
75 pt 0.85425 -10.48960 -18.18750 Infinity 0.718858 Infinity
30528
76 pt -0.87106 -7.57185 -7.14328 -Infinity 1.252150 -Infinity
30529
77 pt 0.40400 -6.36167 -7.83664 Infinity 1.316200 Infinity
30530
78 pt 0.00403 -9.13609 -6.54459 Infinity 1.148180 Infinity
30531
79 pt 8.90602 -16.16124 -12.07933 -Infinity 0.651227 -Infinity
30532
80 pt 10.06345 -16.80113 -13.42913 Infinity 0.611732 Infinity
30533
81 pt 9.41688 -16.89020 -10.41238 Infinity 0.648348 Infinity
30534
82 pt 15.56930 -12.16173 -16.15773 -Infinity 0.589070 -Infinity
30535
83 pt 13.87597 -11.50905 -15.63077 Infinity 0.627413 Infinity
30536
84 pt 15.38861 -13.18072 -17.73889 Infinity 0.560311 Infinity
30537
85 pt 10.46903 -9.04921 -18.18006 -Infinity 0.666631 -Infinity
30538
86 pt 10.20630 -9.86870 -16.49766 Infinity 0.690364 Infinity
30539
87 pt 9.37499 -9.89185 -19.47006 Infinity 0.642015 Infinity
30540
88 pt 11.63256 -16.92690 -16.83805 -Infinity 0.558470 -Infinity
30541
89 pt 12.95383 -16.38644 -18.07628 Infinity 0.541415 Infinity
30542
90 pt 9.94403 -16.94837 -17.68627 Infinity 0.561877 Infinity
30543
91 pt 9.45734 -11.17968 -13.70331 -Infinity 0.729977 -Infinity
30544
92 pt 7.78453 -10.30612 -13.60496 Infinity 0.778664 Infinity
30545
93 pt 9.29334 -12.93519 -13.02334 Infinity 0.704670 Infinity
30546
94 pt 14.57351 -7.01191 -9.89824 -Infinity 0.780254 -Infinity
30547
95 pt 13.92514 -8.75872 -9.58310 Infinity 0.765959 Infinity
30548
96 pt 13.16651 -5.92158 -10.53276 Infinity 0.832271 Infinity
30549
97 pt 14.52073 -14.46192 -8.29747 -Infinity 0.649007 -Infinity
30550
98 pt 14.24147 -13.15412 -6.96228 Infinity 0.690911 Infinity
30551
99 pt 13.17916 -15.78699 -8.17317 Infinity 0.644048 Infinity
30552
100 pt 15.52349 -19.18551 -13.76149 -Infinity 0.521580 -Infinity
30553
101 pt 16.42369 -17.59041 -13.29635 Infinity 0.536657 Infinity
30554
102 pt 14.11817 -18.79000 -14.96137 Infinity 0.529849 Infinity
30555
103 pt 17.80980 -14.69130 -12.22450 -Infinity 0.566396 -Infinity
30556
104 pt 16.67759 -14.52179 -10.72103 Infinity 0.596147 Infinity
30557
105 pt 17.13731 -13.63882 -13.64263 Infinity 0.576615 Infinity
30558
106 pt -17.30093 3.37275 -20.58380 -Infinity 0.622224 -Infinity
30559
107 pt -16.62419 2.25018 -19.22257 Infinity 0.659049 Infinity
30560
108 pt -16.62173 2.81554 -22.25690 Infinity 0.601423 Infinity
30561
109 pt -7.95546 -4.07306 -19.46213 -Infinity 0.752040 -Infinity
30562
110 pt -6.18604 -3.60034 -18.99653 Infinity 0.794203 Infinity
30563
111 pt -9.00309 -4.21656 -17.89594 Infinity 0.784426 Infinity
30564
112 pt -10.24997 -4.43798 -14.87327 -Infinity 0.856416 -Infinity
30565
113 pt -11.59767 -5.53853 -14.13600 Infinity 0.825416 Infinity
30566
114 pt -8.61824 -4.74923 -13.97236 Infinity 0.921790 Infinity
30567
115 pt -12.87221 5.50573 -13.37260 -Infinity 0.913730 -Infinity
30568
116 pt -11.97015 3.85526 -13.55515 Infinity 0.945900 Infinity
30569
117 pt -14.43304 5.26041 -12.33592 Infinity 0.891819 Infinity
30570
118 pt -13.27301 -3.61429 -8.55495 -Infinity 0.977212 -Infinity
30571
119 pt -13.17242 -4.99406 -9.84226 Infinity 0.910841 Infinity
30572
120 pt -11.68927 -2.58475 -8.60848 Infinity 1.084893 Infinity
30573
121 pt -15.46701 0.10534 -17.21925 -Infinity 0.719147 -Infinity
30574
122 pt -14.68219 -0.01148 -15.50418 Infinity 0.780307 Infinity
30575
123 pt -16.81975 -1.20379 -17.38460 Infinity 0.680250 Infinity
30576
124 pt -8.46727 -1.50306 -9.49301 -Infinity 1.269392 -Infinity
30577
125 pt -7.00354 -0.32039 -9.32026 Infinity 1.432912 Infinity
30578
126 pt -7.86071 -3.16486 -10.15753 Infinity 1.188287 Infinity
30579
127 pt -10.80319 2.83237 -18.58698 -Infinity 0.787421 -Infinity
30580
128 pt -12.46319 1.98571 -18.90102 Infinity 0.743921 Infinity
30581
129 pt -10.22103 2.44779 -16.83077 Infinity 0.863283 Infinity
30582
130 pt -18.93772 -4.42330 -13.32449 -Infinity 0.681575 -Infinity
30583
131 pt -20.71119 -4.99158 -13.00365 Infinity 0.642084 Infinity
30584
132 pt -18.12737 -5.56876 -14.59032 Infinity 0.667539 Infinity
30585
133 pt -21.03744 2.75886 -16.81039 -Infinity 0.619392 -Infinity
30586
134 pt -20.11614 3.10195 -18.42425 Infinity 0.611961 Infinity
30587
135 pt -21.15692 0.89291 -16.53647 Infinity 0.618091 Infinity
30588
136 pt -19.60623 -0.61452 -9.83695 -Infinity 0.749430 -Infinity
30589
137 pt -21.45548 -0.39894 -10.16080 Infinity 0.692575 Infinity
30590
138 pt -18.91460 -1.94315 -10.98910 Infinity 0.742358 Infinity
30591
139 pt -19.79800 -2.65696 -19.03411 -Infinity 0.591588 -Infinity
30592
140 pt -18.76455 -3.87747 -20.04078 Infinity 0.585454 Infinity
30593
141 pt -21.29636 -3.54918 -18.30616 Infinity 0.573809 Infinity
30594
142 pt -17.01946 3.90994 -10.52095 -Infinity 0.843933 -Infinity
30595
143 pt -18.20277 5.00403 -11.50775 Infinity 0.779330 Infinity
30596
144 pt -17.85587 2.25865 -10.14053 Infinity 0.818615 Infinity
30597
145 pt -10.73109 0.64357 -13.77880 -Infinity 0.967275 -Infinity
30598
146 pt -10.66490 -1.09406 -14.51862 Infinity 0.916231 Infinity
30599
147 pt -10.09642 0.59635 -11.99946 Infinity 1.080863 Infinity
30600
148 pt -19.96419 6.69707 -13.78257 -Infinity 0.683876 -Infinity
30601
149 pt -21.04508 8.20050 -14.15999 Infinity 0.646788 Infinity
30602
150 pt -20.57726 5.21308 -14.77906 Infinity 0.658281 Infinity
30603
151 pt 4.27647 3.52693 -17.96847 -Infinity 0.909318 -Infinity
30604
152 pt 4.91578 3.51723 -19.74674 Infinity 0.821401 Infinity
30605
153 pt 3.52393 5.21573 -17.57773 Infinity 0.935862 Infinity
30606
154 pt -6.17639 -5.55570 -12.02476 -Infinity 1.041912 -Infinity
30607
155 pt -5.82558 -7.30894 -11.41308 Infinity 1.003504 Infinity
30608
156 pt -4.59382 -4.52703 -11.93318 Infinity 1.128198 Infinity
30609
157 pt -4.11778 1.33637 -9.68471 -Infinity 1.661484 -Infinity
30610
158 pt -3.55474 2.67920 -10.88923 Infinity 1.545013 Infinity
30611
159 pt -4.23005 2.05867 -7.94208 Infinity 2.007047 Infinity
30612
160 pt 3.59837 0.72646 -11.24337 -Infinity 1.402079 -Infinity
30613
161 pt 5.14808 1.53401 -11.96263 Infinity 1.280161 Infinity
30614
162 pt 2.27550 2.04491 -10.95562 Infinity 1.530627 Infinity
30615
163 pt -2.21718 4.79677 -13.03886 -Infinity 1.313001 -Infinity
30616
164 pt -3.42343 6.18759 -13.46507 Infinity 1.228803 Infinity
30617
165 pt -0.66164 5.52897 -12.25447 Infinity 1.404794 Infinity
30618
166 pt 3.82600 -3.32823 -15.07553 -Infinity 0.982779 -Infinity
30619
167 pt 2.42128 -2.87034 -16.25373 Infinity 0.951252 Infinity
30620
168 pt 3.92600 -2.05099 -13.68639 Infinity 1.096848 Infinity
30621
169 pt -0.09187 1.19597 -16.39151 -Infinity 1.028467 -Infinity
30622
170 pt 1.54226 1.93467 -16.98733 Infinity 0.989081 Infinity
30623
171 pt -0.97580 2.43802 -15.27480 Infinity 1.118857 Infinity
30624
172 pt -1.95644 -2.89933 -11.69132 -Infinity 1.271392 -Infinity
30625
173 pt -0.31648 -3.32067 -10.85225 Infinity 1.327298 Infinity
30626
174 pt -2.61635 -1.26774 -11.00322 Infinity 1.415440 Infinity
30627
175 pt 2.61901 -3.73649 -8.93676 -Infinity 1.415071 -Infinity
30628
176 pt 3.02704 -2.04168 -9.66628 Infinity 1.458088 Infinity
30629
177 pt 4.17402 -4.81023 -8.92716 Infinity 1.277126 Infinity
30630
178 pt -3.13455 -2.75175 -17.46253 -Infinity 0.898664 -Infinity
30631
179 pt -2.18429 -1.14366 -17.17597 Infinity 0.946301 Infinity
30632
180 pt -3.14016 -3.77319 -15.87265 Infinity 0.953741 Infinity
30633
181 pt -2.37331 5.77743 -19.79274 -Infinity 0.843805 -Infinity
30634
182 pt -0.86921 6.26141 -18.75616 Infinity 0.893238 Infinity
30635
183 pt -3.65335 7.16636 -19.73412 Infinity 0.830025 Infinity
30636
184 pt 17.61826 2.77546 -20.84224 -Infinity 0.595776 -Infinity
30637
185 pt 17.37527 1.75654 -19.26940 Infinity 0.624916 Infinity
30638
186 pt 18.63192 1.78021 -22.08845 Infinity 0.561249 Infinity
30639
187 pt 8.87647 -4.30942 -16.48300 -Infinity 0.809708 -Infinity
30640
188 pt 9.17521 -6.03989 -17.18106 Infinity 0.755297 Infinity
30641
189 pt 7.02399 -4.04755 -16.21691 Infinity 0.859052 Infinity
30642
190 pt 18.69807 -5.45649 -12.56866 -Infinity 0.661402 -Infinity
30643
191 pt 18.43453 -5.72216 -14.42096 Infinity 0.639396 Infinity
30644
192 pt 17.29827 -6.28519 -11.60694 Infinity 0.696257 Infinity
30645
193 pt 6.85501 -6.63346 -9.49675 -Infinity 1.048827 -Infinity
30646
194 pt 8.36015 -5.61880 -10.02219 Infinity 1.019342 Infinity
30647
195 pt 6.14762 -7.53679 -10.99830 Infinity 0.974320 Infinity
30648
196 pt 7.28606 3.21664 -13.81086 -Infinity 1.068956 -Infinity
30649
197 pt 7.94021 4.98919 -13.77607 Infinity 1.043521 Infinity
30650
198 pt 6.28510 2.94439 -15.39042 Infinity 1.006486 Infinity
30651
199 pt 18.09288 -0.64845 -10.51917 -Infinity 0.750687 -Infinity
30652
200 pt 16.96802 0.45207 -11.56540 Infinity 0.774968 Infinity
30653
201 pt 18.10761 -2.39730 -11.23497 Infinity 0.724849 Infinity
30654
202 pt 16.49243 -0.69587 -17.13454 -Infinity 0.671953 -Infinity
30655
203 pt 14.82802 -0.98991 -17.97973 Infinity 0.686135 Infinity
30656
204 pt 17.49224 -2.29944 -17.13485 Infinity 0.643302 Infinity
30657
205 pt 18.34755 3.21852 -7.00221 -Infinity 0.809591 -Infinity
30658
206 pt 18.15792 1.76321 -8.19266 Infinity 0.797324 Infinity
30659
207 pt 17.55067 4.75766 -7.75528 Infinity 0.830081 Infinity
30660
208 pt 14.37975 -6.41973 -20.43671 -Infinity 0.604914 -Infinity
30661
209 pt 13.11042 -7.60424 -19.69050 Infinity 0.622624 Infinity
30662
210 pt 13.63116 -4.68904 -20.56068 Infinity 0.627197 Infinity
30663
211 pt 18.69242 -5.53020 -17.80981 -Infinity 0.590368 -Infinity
30664
212 pt 19.60332 -7.17959 -17.66544 Infinity 0.566189 Infinity
30665
213 pt 17.14996 -5.75273 -18.87863 Infinity 0.596793 Infinity
30666
214 pt 15.32871 2.62861 -13.27352 -Infinity 0.798869 -Infinity
30667
215 pt 15.60764 4.48033 -13.52732 Infinity 0.784694 Infinity
30668
216 pt 15.75374 1.70256 -14.86501 Infinity 0.746690 Infinity
30669
217 pt 12.13377 -1.76043 -19.54097 -Infinity 0.693974 -Infinity
30670
218 pt 11.31598 -0.49592 -20.68258 Infinity 0.686678 Infinity
30671
219 pt 10.83338 -2.50463 -18.38934 Infinity 0.739744 Infinity
30672
220 pt 10.79348 -4.03850 -11.69169 -Infinity 0.922121 -Infinity
30673
221 pt 10.24394 -4.17550 -13.49454 Infinity 0.877224 Infinity
30674
222 pt 10.91581 -2.21633 -11.20610 Infinity 0.975856 Infinity
30675
223 pt 10.94455 1.05125 -10.90194 -Infinity 1.043376 -Infinity
30676
224 pt 12.62008 1.70127 -11.48599 Infinity 0.947680 Infinity
30677
225 pt 9.57066 1.81774 -11.94884 Infinity 1.069232 Infinity
30678
226 pt -20.51211 13.56484 -11.32196 -Infinity 0.651644 -Infinity
30679
227 pt -21.63186 15.03296 -10.91964 Infinity 0.617107 Infinity
30680
228 pt -21.18440 12.65469 -12.83547 Infinity 0.629490 Infinity
30681
229 pt -10.46523 8.63279 -8.09919 -Infinity 1.215535 -Infinity
30682
230 pt -11.63953 7.17420 -7.84504 Infinity 1.188215 Infinity
30683
231 pt -11.46416 10.18184 -8.51590 Infinity 1.083014 Infinity
30684
232 pt -8.15588 14.57247 -12.86742 -Infinity 0.896663 -Infinity
30685
233 pt -9.14653 13.06967 -13.44296 Infinity 0.897870 Infinity
30686
234 pt -7.96230 14.51863 -10.98841 Infinity 0.967298 Infinity
30687
235 pt -17.59378 8.01631 -18.38067 -Infinity 0.648045 -Infinity
30688
236 pt -17.41511 6.38182 -19.31211 Infinity 0.640092 Infinity
30689
237 pt -18.07825 7.67072 -16.58709 Infinity 0.673524 Infinity
30690
238 pt -10.47256 10.04329 -14.53197 -Infinity 0.891915 -Infinity
30691
239 pt -11.28526 8.48432 -13.83901 Infinity 0.919905 Infinity
30692
240 pt -11.58696 10.79990 -15.85738 Infinity 0.807195 Infinity
30693
241 pt -15.75698 15.93881 -12.14329 -Infinity 0.710753 -Infinity
30694
242 pt -17.40103 15.04925 -11.86603 Infinity 0.693675 Infinity
30695
243 pt -15.74132 17.55525 -11.16456 Infinity 0.696169 Infinity
30696
244 pt -7.46751 19.13555 -14.92646 -Infinity 0.728697 -Infinity
30697
245 pt -7.66246 17.40039 -14.20377 Infinity 0.785900 Infinity
30698
246 pt -8.55464 20.34548 -13.96455 Infinity 0.707291 Infinity
30699
247 pt -10.53623 7.73401 -20.48594 -Infinity 0.719586 -Infinity
30700
248 pt -10.80886 6.05829 -19.65607 Infinity 0.748259 Infinity
30701
249 pt -11.67099 9.02173 -19.69525 Infinity 0.715172 Infinity
30702
250 pt -14.36923 17.86718 -17.06409 -Infinity 0.627040 -Infinity
30703
251 pt -14.75109 17.00461 -15.42665 Infinity 0.659711 Infinity
30704
252 pt -14.51662 19.73791 -16.84115 Infinity 0.602570 Infinity
30705
253 pt -12.66498 13.32471 -8.67150 -Infinity 0.924026 -Infinity
30706
254 pt -13.65321 14.07267 -10.09804 Infinity 0.839149 Infinity
30707
255 pt -13.49630 13.76044 -7.03134 Infinity 0.913080 Infinity
30708
256 pt -13.67825 11.26792 -18.59653 -Infinity 0.689288 -Infinity
30709
257 pt -14.24621 12.83372 -19.48913 Infinity 0.646418 Infinity
30710
258 pt -15.15896 10.12671 -18.32049 Infinity 0.679841 Infinity
30711
259 pt -9.55335 17.21485 -19.29745 -Infinity 0.653486 -Infinity
30712
260 pt -11.34680 17.11208 -18.71090 Infinity 0.647209 Infinity
30713
261 pt -8.50754 18.07803 -17.98129 Infinity 0.676270 Infinity
30714
262 pt -16.11527 15.20523 -21.27372 -Infinity 0.570813 -Infinity
30715
263 pt -15.75160 16.40770 -19.86203 Infinity 0.584674 Infinity
30716
264 pt -16.14013 16.14542 -22.91277 Infinity 0.539937 Infinity
30717
265 pt -15.56831 20.36334 -9.39387 -Infinity 0.666163 -Infinity
30718
266 pt -16.07070 22.00869 -10.17584 Infinity 0.621045 Infinity
30719
267 pt -16.21942 20.28211 -7.62172 Infinity 0.671474 Infinity
30720
268 pt -5.83197 9.47564 -18.95145 -Infinity 0.817567 -Infinity
30721
269 pt -7.58201 8.93917 -19.42118 Infinity 0.784931 Infinity
30722
270 pt -5.66627 9.50965 -17.06931 Infinity 0.897346 Infinity
30723
271 pt 3.38444 18.20483 -19.47593 -Infinity 0.671805 -Infinity
30724
272 pt 1.56555 18.01042 -19.95018 Infinity 0.671027 Infinity
30725
273 pt 4.34355 16.66657 -20.00972 Infinity 0.680392 Infinity
30726
274 pt -5.40748 14.21745 -21.14230 -Infinity 0.688574 -Infinity
30727
275 pt -5.41256 12.47926 -20.40087 Infinity 0.732648 Infinity
30728
276 pt -6.94635 15.15246 -20.56897 Infinity 0.678959 Infinity
30729
277 pt 1.81481 7.96249 -17.37456 -Infinity 0.938078 -Infinity
30730
278 pt 1.91184 9.15838 -15.91460 Infinity 0.996958 Infinity
30731
279 pt 2.11320 8.90639 -18.98424 Infinity 0.847343 Infinity
30732
280 pt -2.39331 19.06226 -15.80485 -Infinity 0.745978 -Infinity
30733
281 pt -4.25566 19.13874 -15.49364 Infinity 0.742877 Infinity
30734
282 pt -2.07353 18.64940 -17.62098 Infinity 0.713319 Infinity
30735
283 pt -1.68242 19.08771 -8.26698 -Infinity 0.933898 -Infinity
30736
284 pt -3.51004 19.43634 -7.93633 Infinity 0.912266 Infinity
30737
285 pt -0.81901 18.65372 -6.64302 Infinity 0.995684 Infinity
30738
286 pt 0.52000 16.42954 -12.34772 -Infinity 0.934802 -Infinity
30739
287 pt -0.15325 16.97691 -10.66898 Infinity 0.971184 Infinity
30740
288 pt -0.61747 17.05878 -13.71932 Infinity 0.865956 Infinity
30741
289 pt 1.98065 6.69707 -10.83120 -Infinity 1.515934 -Infinity
30742
290 pt 2.12080 8.35914 -11.71941 Infinity 1.337334 Infinity
30743
291 pt 3.13419 6.68229 -9.33447 Infinity 1.678327 Infinity
30744
292 pt -3.42663 11.77689 -8.96840 -Infinity 1.359552 -Infinity
30745
293 pt -1.84662 12.20826 -8.02577 Infinity 1.431709 Infinity
30746
294 pt -4.79607 12.98904 -8.49258 Infinity 1.255451 Infinity
30747
295 pt -1.69236 17.86562 -20.75921 -Infinity 0.657141 -Infinity
30748
296 pt -2.77241 16.31591 -20.70484 Infinity 0.680602 Infinity
30749
297 pt -2.14214 18.89517 -22.27868 Infinity 0.610601 Infinity
30750
298 pt 2.49165 11.35974 -13.31675 -Infinity 1.080661 -Infinity
30751
299 pt 4.29091 11.88129 -13.56519 Infinity 1.017040 Infinity
30752
300 pt 1.45562 12.86984 -12.85057 Infinity 1.058158 Infinity
30753
301 pt 4.15250 19.68005 -14.52756 -Infinity 0.745109 -Infinity
30754
302 pt 4.10419 19.22717 -16.36158 Infinity 0.716184 Infinity
30755
303 pt 3.17465 18.40250 -13.53622 Infinity 0.812412 Infinity
30756
304 pt -5.34370 9.06368 -13.58434 -Infinity 1.103232 -Infinity
30757
305 pt -4.56432 10.12323 -12.22751 Infinity 1.179275 Infinity
30758
306 pt -7.21177 9.34763 -13.61180 Infinity 1.042543 Infinity
30759
307 pt 5.51933 12.74781 -7.79953 -Infinity 1.249110 -Infinity
30760
308 pt 6.84930 11.60320 -8.50103 Infinity 1.219991 Infinity
30761
309 pt 6.04123 14.54719 -8.04637 Infinity 1.103431 Infinity
30762
310 pt 7.55440 17.69532 -8.34983 -Infinity 0.900698 -Infinity
30763
311 pt 8.93145 16.86305 -7.35882 Infinity 0.918965 Infinity
30764
312 pt 8.25729 18.35604 -9.97478 Infinity 0.828672 Infinity
30765
313 pt 12.51244 8.26333 -17.98032 -Infinity 0.732370 -Infinity
30766
314 pt 12.76223 7.06122 -19.41684 Infinity 0.698263 Infinity
30767
315 pt 12.89609 10.02208 -18.55537 Infinity 0.697280 Infinity
30768
316 pt 15.15890 14.50931 -15.18404 -Infinity 0.674494 -Infinity
30769
317 pt 14.53034 13.69579 -16.76964 Infinity 0.667917 Infinity
30770
318 pt 16.96793 15.00876 -15.40546 Infinity 0.632406 Infinity
30771
319 pt 11.69219 13.42592 -11.37757 -Infinity 0.854859 -Infinity
30772
320 pt 13.10797 13.80735 -12.56968 Infinity 0.780160 Infinity
30773
321 pt 12.02058 14.26792 -9.71797 Infinity 0.862676 Infinity
30774
322 pt 19.34260 17.78521 -10.15277 -Infinity 0.615273 -Infinity
30775
323 pt 20.00734 18.81379 -11.59193 Infinity 0.579750 Infinity
30776
324 pt 17.61213 18.38886 -9.69215 Infinity 0.642668 Infinity
30777
325 pt 14.81931 20.47551 -9.64200 -Infinity 0.657749 -Infinity
30778
326 pt 12.98043 20.09699 -9.42676 Infinity 0.699958 Infinity
30779
327 pt 15.06827 21.53925 -11.18392 Infinity 0.620270 Infinity
30780
328 pt 14.98961 21.15041 -20.51338 -Infinity 0.525904 -Infinity
30781
329 pt 16.21386 22.53868 -20.89414 Infinity 0.498388 Infinity
30782
330 pt 13.51704 21.26689 -21.69195 Infinity 0.523651 Infinity
30783
331 pt 13.89715 12.83430 -19.90002 -Infinity 0.628985 -Infinity
30784
332 pt 15.54440 12.73368 -20.82060 Infinity 0.591785 Infinity
30785
333 pt 12.66682 13.84588 -20.91690 Infinity 0.617099 Infinity
30786
334 pt 19.90037 11.17114 -7.02001 -Infinity 0.710074 -Infinity
30787
335 pt 21.11675 11.41617 -8.44530 Infinity 0.663338 Infinity
30788
336 pt 19.66651 12.80624 -6.10195 Infinity 0.704767 Infinity
30789
337 pt 15.86266 7.87113 -13.98275 -Infinity 0.752156 -Infinity
30790
338 pt 14.54442 7.97841 -15.33248 Infinity 0.755201 Infinity
30791
339 pt 17.31746 8.99071 -14.43124 Infinity 0.698453 Infinity
30792
340 pt 16.39511 7.65081 -8.74053 -Infinity 0.843468 -Infinity
30793
341 pt 16.02358 7.79590 -10.58769 Infinity 0.820177 Infinity
30794
342 pt 17.57345 9.03467 -8.22335 Infinity 0.793753 Infinity
30795
343 pt 7.35600 12.96715 -14.14003 -Infinity 0.894687 -Infinity
30796
344 pt 7.55476 14.02923 -15.69037 Infinity 0.813266 Infinity
30797
345 pt 8.83938 13.23169 -12.99956 Infinity 0.892268 Infinity
30798
346 pt 9.16168 19.75380 -12.73455 -Infinity 0.723106 -Infinity
30799
347 pt 10.48556 19.52284 -14.06311 Infinity 0.687078 Infinity
30800
348 pt 7.45231 19.75247 -13.54022 Infinity 0.730997 Infinity
30801
349 pt 19.08923 7.72277 -19.74192 -Infinity 0.584274 -Infinity
30802
350 pt 19.73363 8.29807 -21.42264 Infinity 0.549984 Infinity
30803
351 pt 18.67400 5.88097 -19.82214 Infinity 0.594112 Infinity
30804
352 pt 19.79474 20.54211 -14.54933 -Infinity 0.539435 -Infinity
30805
353 pt 20.98724 21.54736 -15.61633 Infinity 0.507320 Infinity
30806
354 pt 18.17455 21.49337 -14.34643 Infinity 0.550648 Infinity
30807
355 pt 8.64408 15.94060 -18.12349 -Infinity 0.697315 -Infinity
30808
356 pt 9.97514 17.12259 -17.48928 Infinity 0.675057 Infinity
30809
357 pt 8.94242 15.57806 -19.95397 Infinity 0.659181 Infinity
30810
358 pt 8.82610 8.03358 -14.40710 -Infinity 0.948668 -Infinity
30811
359 pt 8.04664 9.75465 -14.44485 Infinity 0.940236 Infinity
30812
360 pt 10.17940 7.92487 -15.72156 Infinity 0.858297 Infinity
30813
361 pt 9.29235 9.05846 -9.37457 -Infinity 1.150277 -Infinity
30814
362 pt 10.64757 10.37468 -9.41936 Infinity 1.035877 Infinity
30815
363 pt 9.11065 8.28138 -11.08752 Infinity 1.093929 Infinity
30816
364 pt 12.59673 18.81046 -16.48611 -Infinity 0.632505 -Infinity
30817
365 pt 13.51650 19.77200 -17.82795 Infinity 0.588860 Infinity
30818
366 pt 13.68256 17.39197 -15.86973 Infinity 0.647988 Infinity
30819
367 pt 19.85646 15.93878 -16.90110 -Infinity 0.559859 -Infinity
30820
368 pt 19.89666 16.39186 -18.73526 Infinity 0.535912 Infinity
30821
369 pt 20.11653 17.49490 -15.86094 Infinity 0.553303 Infinity
30822
370 pt 20.01770 10.81345 -15.74679 -Infinity 0.609918 -Infinity
30823
371 pt 19.77106 9.70772 -17.25927 Infinity 0.600322 Infinity
30824
372 pt 20.13916 12.61723 -16.29697 Infinity 0.588651 Infinity
30825
373 pt -10.99977 -18.26673 -1.58816 -Infinity 0.660357 -Infinity
30826
374 pt -12.19117 -16.96507 -0.91191 Infinity 0.677624 Infinity
30827
375 pt -9.67840 -17.42452 -2.64444 Infinity 0.696665 Infinity
30828
376 pt -17.07083 -16.08790 3.90696 -Infinity 0.611931 -Infinity
30829
377 pt -15.88624 -15.62048 2.51078 Infinity 0.644756 Infinity
30830
378 pt -17.82565 -14.52064 4.64522 Infinity 0.623940 Infinity
30831
379 pt -7.64994 -15.34516 -4.31900 -Infinity 0.780913 -Infinity
30832
380 pt -5.84106 -15.10073 -3.82983 Infinity 0.814780 Infinity
30833
381 pt -8.56352 -13.69504 -4.20268 Infinity 0.828842 Infinity
30834
382 pt -18.71629 -16.46953 -4.51881 -Infinity 0.587002 -Infinity
30835
383 pt -19.33043 -15.17994 -3.28153 Infinity 0.601193 Infinity
30836
384 pt -19.81720 -16.44496 -6.05454 Infinity 0.567067 Infinity
30837
385 pt -9.86957 -10.73162 -3.77468 -Infinity 0.926376 -Infinity
30838
386 pt -8.61630 -10.35946 -2.41017 Infinity 0.991117 Infinity
30839
387 pt -11.58602 -10.16103 -3.22759 Infinity 0.902808 Infinity
30840
388 pt -10.02704 -11.78005 3.35271 -Infinity 0.861752 -Infinity
30841
389 pt -8.56522 -11.65389 2.16181 Infinity 0.914019 Infinity
30842
390 pt -10.23787 -10.14071 4.26878 Infinity 0.909085 Infinity
30843
391 pt -13.61008 -14.11735 0.31860 -Infinity 0.726645 -Infinity
30844
392 pt -12.36112 -13.30666 1.48219 Infinity 0.771247 Infinity
30845
393 pt -14.28235 -12.82488 -0.88499 Infinity 0.748809 Infinity
30846
394 pt -18.89251 -11.57912 5.90746 -Infinity 0.646030 -Infinity
30847
395 pt -17.49418 -10.44902 6.48936 Infinity 0.688827 Infinity
30848
396 pt -19.96402 -10.66109 4.65042 Infinity 0.647485 Infinity
30849
397 pt -17.70216 -20.26342 6.80328 -Infinity 0.526232 -Infinity
30850
398 pt -18.03039 -19.64990 8.56025 Infinity 0.522512 Infinity
30851
399 pt -17.52633 -18.78390 5.64087 Infinity 0.554399 Infinity
30852
400 pt -16.47243 -7.48574 1.83749 -Infinity 0.818379 -Infinity
30853
401 pt -15.80436 -7.69942 3.59222 Infinity 0.821162 Infinity
30854
402 pt -18.32419 -7.86210 1.81718 Infinity 0.751775 Infinity
30855
403 pt -10.83510 -16.28219 6.09084 -Infinity 0.681196 -Infinity
30856
404 pt -10.06554 -17.55492 4.92508 Infinity 0.668078 Infinity
30857
405 pt -10.60374 -14.54902 5.37413 Infinity 0.737131 Infinity
30858
406 pt -14.75564 -9.61333 -2.50365 -Infinity 0.824953 -Infinity
30859
407 pt -15.44173 -8.47213 -3.84455 Infinity 0.828667 Infinity
30860
408 pt -15.26894 -8.96859 -0.80309 Infinity 0.829307 Infinity
30861
409 pt -15.26509 -7.85029 6.85545 -Infinity 0.791715 -Infinity
30862
410 pt -13.44174 -7.38507 6.68220 Infinity 0.861337 Infinity
30863
411 pt -16.24579 -6.34822 7.44967 Infinity 0.784646 Infinity
30864
412 pt -9.15442 -20.04401 2.90455 -Infinity 0.628152 -Infinity
30865
413 pt -9.72709 -21.82638 3.16201 Infinity 0.584776 Infinity
30866
414 pt -9.67216 -19.45717 1.18449 Infinity 0.642729 Infinity
30867
415 pt 4.74258 -10.87172 2.62637 -Infinity 1.005541 -Infinity
30868
416 pt 5.45485 -12.53618 3.16796 Infinity 0.899341 Infinity
30869
417 pt 5.78504 -9.47292 3.35280 Infinity 1.049025 Infinity
30870
418 pt 1.39284 -12.03771 -5.60170 -Infinity 0.972264 -Infinity
30871
419 pt 1.90546 -13.30981 -6.90172 Infinity 0.883380 Infinity
30872
420 pt 2.79707 -11.80478 -4.35875 Infinity 0.989446 Infinity
30873
421 pt -5.13490 -20.95882 6.01154 -Infinity 0.615824 -Infinity
30874
422 pt -4.30843 -22.59384 5.54818 Infinity 0.586196 Infinity
30875
423 pt -6.38209 -20.48113 4.67461 Infinity 0.628836 Infinity
30876
424 pt 0.80651 -14.65012 6.66279 -Infinity 0.803825 -Infinity
30877
425 pt 1.28652 -15.88758 5.31767 Infinity 0.775595 Infinity
30878
426 pt 0.34535 -12.99968 5.86628 Infinity 0.886341 Infinity
30879
427 pt 2.05844 -18.14120 3.17918 -Infinity 0.715991 -Infinity
30880
428 pt 2.05712 -19.83688 4.01329 Infinity 0.662221 Infinity
30881
429 pt 0.99256 -18.20418 1.62002 Infinity 0.725208 Infinity
30882
430 pt 5.51210 -11.81957 -2.46073 -Infinity 0.958226 -Infinity
30883
431 pt 5.14301 -11.37462 -0.66160 Infinity 0.994016 Infinity
30884
432 pt 6.27711 -13.54572 -2.53960 Infinity 0.861230 Infinity
30885
433 pt 3.41913 -19.86918 -3.86379 -Infinity 0.666340 -Infinity
30886
434 pt 3.58603 -20.32872 -5.68918 Infinity 0.646084 Infinity
30887
435 pt 3.85301 -21.36547 -2.79425 Infinity 0.628605 Infinity
30888
436 pt 6.55189 -15.50131 3.81207 -Infinity 0.761628 -Infinity
30889
437 pt 7.58632 -16.40609 5.10914 Infinity 0.710716 Infinity
30890
438 pt 5.02947 -16.53620 3.38510 Infinity 0.747163 Infinity
30891
439 pt -0.79122 -18.45813 -1.21444 -Infinity 0.724181 -Infinity
30892
440 pt 0.69390 -18.89522 -2.29815 Infinity 0.707879 Infinity
30893
441 pt -2.03096 -19.88416 -1.23801 Infinity 0.679132 Infinity
30894
442 pt -2.83509 -13.97797 -2.79862 -Infinity 0.897066 -Infinity
30895
443 pt -1.49241 -13.11309 -3.80870 Infinity 0.941194 Infinity
30896
444 pt -2.12830 -15.55071 -2.02533 Infinity 0.830340 Infinity
30897
445 pt -0.17212 -10.23512 4.23728 -Infinity 1.076317 -Infinity
30898
446 pt 1.57479 -10.29570 3.51915 Infinity 1.077945 Infinity
30899
447 pt -1.26927 -9.15872 3.13787 Infinity 1.186135 Infinity
30900
448 pt -6.12881 -10.84941 -0.06946 -Infinity 1.031760 -Infinity
30901
449 pt -4.94119 -12.04281 -0.92763 Infinity 0.984541 Infinity
30902
450 pt -5.18635 -9.30526 0.47683 Infinity 1.160540 Infinity
30903
451 pt 7.76587 -7.18949 4.61040 -Infinity 1.079901 -Infinity
30904
452 pt 9.38295 -7.68425 3.76699 Infinity 1.009860 Infinity
30905
453 pt 8.12032 -6.64740 6.38567 Infinity 1.038753 Infinity
30906
454 pt 17.83888 -21.01196 -0.73843 -Infinity 0.520121 -Infinity
30907
455 pt 16.80782 -21.52340 0.76038 Infinity 0.522369 Infinity
30908
456 pt 17.74481 -19.13751 -0.95902 Infinity 0.547544 Infinity
30909
457 pt 10.07091 -19.80000 0.44173 -Infinity 0.620401 -Infinity
30910
458 pt 8.83641 -20.63469 1.60379 Infinity 0.611329 Infinity
30911
459 pt 11.72870 -19.59367 1.32504 Infinity 0.606099 Infinity
30912
460 pt 17.98758 -20.08073 -6.03316 -Infinity 0.524277 -Infinity
30913
461 pt 16.66586 -20.87587 -7.12489 Infinity 0.523380 Infinity
30914
462 pt 17.82063 -20.72972 -4.26624 Infinity 0.521317 Infinity
30915
463 pt 16.77543 -16.03419 -1.64681 -Infinity 0.609982 -Infinity
30916
464 pt 16.47152 -16.29732 -3.49328 Infinity 0.607520 Infinity
30917
465 pt 15.31657 -15.09788 -0.89440 Infinity 0.651336 Infinity
30918
466 pt 21.35337 -8.75198 2.25170 -Infinity 0.630581 -Infinity
30919
467 pt 20.93489 -10.03359 0.92753 Infinity 0.626508 Infinity
30920
468 pt 20.19563 -7.26812 2.08184 Infinity 0.676906 Infinity
30921
469 pt 20.71889 -12.57715 -1.40567 -Infinity 0.598199 -Infinity
30922
470 pt 19.86508 -11.24471 -2.43847 Infinity 0.632384 Infinity
30923
471 pt 19.53435 -14.02546 -1.14047 Infinity 0.598124 Infinity
30924
472 pt 8.75085 -8.62873 -5.08565 -Infinity 1.003208 -Infinity
30925
473 pt 7.48728 -9.63931 -4.10933 Infinity 1.008983 Infinity
30926
474 pt 7.93409 -7.92864 -6.63930 Infinity 1.036849 Infinity
30927
475 pt 13.08369 -11.32582 -4.44239 -Infinity 0.778862 -Infinity
30928
476 pt 11.55386 -10.28220 -4.81861 Infinity 0.848818 Infinity
30929
477 pt 12.89102 -12.13987 -2.74790 Infinity 0.768678 Infinity
30930
478 pt 12.69861 -8.82522 2.88447 -Infinity 0.858932 -Infinity
30931
479 pt 13.18548 -8.66098 4.70300 Infinity 0.827762 Infinity
30932
480 pt 13.06557 -7.20474 1.98422 Infinity 0.904961 Infinity
30933
481 pt 7.36721 -16.67962 -2.84939 -Infinity 0.730621 -Infinity
30934
482 pt 5.80780 -17.68138 -3.21786 Infinity 0.715304 Infinity
30935
483 pt 8.43284 -17.60929 -1.59590 Infinity 0.692863 Infinity
30936
484 pt 17.75984 -9.22630 -3.76178 -Infinity 0.709831 -Infinity
30937
485 pt 16.06501 -10.02631 -4.00392 Infinity 0.736640 Infinity
30938
486 pt 17.67783 -7.40820 -4.27056 Infinity 0.742447 Infinity
30939
487 pt 10.41894 -17.56461 -7.19963 -Infinity 0.648682 -Infinity
30940
488 pt 11.16534 -19.14737 -6.48630 Infinity 0.610615 Infinity
30941
489 pt 9.21864 -16.81336 -5.94824 Infinity 0.689510 Infinity
30942
490 pt 14.38782 -19.25403 3.15849 -Infinity 0.578255 -Infinity
30943
491 pt 15.53902 -17.75700 3.08970 Infinity 0.590407 Infinity
30944
492 pt 14.13487 -19.77329 4.95777 Infinity 0.565493 Infinity
30945
493 pt 12.70395 -13.36258 0.30635 -Infinity 0.740099 -Infinity
30946
494 pt 11.22990 -14.37823 0.91192 Infinity 0.739490 Infinity
30947
495 pt 12.80416 -11.74984 1.28620 Infinity 0.779437 Infinity
30948
496 pt -21.21176 -2.74352 -5.23845 -Infinity 0.728842 -Infinity
30949
497 pt -20.62476 -1.83661 -6.78893 Infinity 0.743717 Infinity
30950
498 pt -22.97511 -3.36934 -5.50310 Infinity 0.671040 Infinity
30951
499 pt -9.82237 2.07312 -3.93727 -Infinity 1.648174 -Infinity
30952
500 pt -11.01955 2.75680 -5.22972 Infinity 1.426847 Infinity
30953
501 pt -8.05343 2.54880 -4.40166 Infinity 1.960568 Infinity
30954
502 pt -7.84174 2.66253 6.20742 -Infinity 1.551380 -Infinity
30955
503 pt -6.93559 2.18113 4.62053 Infinity 1.858506 Infinity
30956
504 pt -9.69659 2.77737 5.86477 Infinity 1.396111 Infinity
30957
505 pt -15.02455 -3.39123 -0.90353 -Infinity 1.001009 -Infinity
30958
506 pt -15.72489 -4.71163 0.25281 Infinity 0.926486 Infinity
30959
507 pt -15.44505 -3.83182 -2.69242 Infinity 0.961561 Infinity
30960
508 pt -15.66201 5.16401 -2.15399 -Infinity 1.054390 -Infinity
30961
509 pt -17.37758 4.68697 -2.78670 Infinity 0.947024 Infinity
30962
510 pt -14.89413 3.69608 -1.24482 Infinity 1.121128 Infinity
30963
511 pt -13.07787 1.29958 0.05320 -Infinity 1.261706 -Infinity
30964
512 pt -11.72321 1.54478 -1.24134 Infinity 1.423278 Infinity
30965
513 pt -13.91130 -0.37508 -0.21509 Infinity 1.154172 Infinity
30966
514 pt -13.04266 2.70866 5.09844 -Infinity 1.150976 -Infinity
30967
515 pt -13.00606 2.23875 3.26843 Infinity 1.213962 Infinity
30968
516 pt -14.21247 1.54883 6.02440 Infinity 1.034057 Infinity
30969
517 pt -20.06184 3.36761 -3.83544 -Infinity 0.814026 -Infinity
30970
518 pt -21.27056 3.45177 -5.28561 Infinity 0.758346 Infinity
30971
519 pt -20.58930 1.99070 -2.65351 Infinity 0.795700 Infinity
30972
520 pt -10.48389 -4.41557 1.33638 -Infinity 1.241315 -Infinity
30973
521 pt -12.10646 -4.03128 0.44720 Infinity 1.156904 Infinity
30974
522 pt -9.03437 -3.76453 0.31358 Infinity 1.427939 Infinity
30975
523 pt -13.47419 4.66650 -6.82696 -Infinity 1.131359 -Infinity
30976
524 pt -14.38481 4.95985 -5.19730 Infinity 1.107357 Infinity
30977
525 pt -14.72487 4.26203 -8.18463 Infinity 1.010554 Infinity
30978
526 pt -16.69780 -5.62434 -5.35651 -Infinity 0.841337 -Infinity
30979
527 pt -18.39320 -4.79025 -5.38778 Infinity 0.795244 Infinity
30980
528 pt -15.56953 -4.80836 -6.63410 Infinity 0.887688 Infinity
30981
529 pt -10.19211 -6.99024 5.65675 -Infinity 1.014443 -Infinity
30982
530 pt -10.38534 -6.03807 4.03592 Infinity 1.094513 Infinity
30983
531 pt -8.51457 -6.58843 6.42843 Infinity 1.073147 Infinity
30984
532 pt 5.52739 2.65014 -4.06067 -Infinity 2.354855 -Infinity
30985
533 pt 6.35195 3.17834 -2.44445 Infinity 2.303426 Infinity
30986
534 pt 5.39336 4.13907 -5.21661 Infinity 2.230291 Infinity
30987
535 pt -1.60006 -3.19207 4.38460 -Infinity 1.816033 -Infinity
30988
536 pt -1.72761 -1.30796 4.45473 Infinity 2.126719 Infinity
30989
537 pt 0.21918 -3.69935 4.32057 Infinity 1.743744 Infinity
30990
538 pt -4.89815 3.24662 -4.94567 -Infinity 2.767582 -Infinity
30991
539 pt -5.04716 5.07103 -5.41514 Infinity 2.484183 Infinity
30992
540 pt -3.65269 3.05726 -3.53712 Infinity 4.120827 Infinity
30993
541 pt 0.58719 1.91585 5.69951 -Infinity 2.237327 -Infinity
30994
542 pt 0.32007 3.74585 6.08787 Infinity 2.193925 Infinity
30995
543 pt 2.28301 1.68168 4.89924 Infinity 2.306640 Infinity
30996
544 pt -3.04632 -6.84228 1.07758 -Infinity 1.460620 -Infinity
30997
545 pt -2.80695 -6.13149 -0.65694 Infinity 1.599143 Infinity
30998
546 pt -2.69090 -5.50324 2.36276 Infinity 1.604937 Infinity
30999
547 pt -7.05567 -2.18751 -1.77846 -Infinity 1.862934 -Infinity
31000
548 pt -7.91458 -1.08956 -3.05433 Infinity 1.817348 Infinity
31001
549 pt -5.46253 -2.88557 -2.51717 Infinity 1.961537 Infinity
31002
550 pt -2.43542 -4.22658 -3.42350 -Infinity 1.903424 -Infinity
31003
551 pt -2.14843 -5.47040 -4.81692 Infinity 1.603044 Infinity
31004
552 pt -1.03109 -2.96221 -3.40722 Infinity 2.267659 Infinity
31005
553 pt -5.62529 6.77305 1.45768 -Infinity 2.445406 -Infinity
31006
554 pt -6.71581 7.49059 0.09131 Infinity 2.158439 Infinity
31007
555 pt -5.83182 4.89535 1.50908 Infinity 2.683111 Infinity
31008
556 pt -5.66810 1.48065 1.69981 -Infinity 2.662034 -Infinity
31009
557 pt -3.99865 1.86180 0.90061 Infinity 3.923092 Infinity
31010
558 pt -6.52095 0.08948 0.74672 Infinity 2.297675 Infinity
31011
559 pt 1.94020 -1.34693 -4.30056 -Infinity 2.431612 -Infinity
31012
560 pt 3.24990 -0.00538 -4.06392 Infinity 2.588948 Infinity
31013
561 pt 2.26623 -2.26872 -5.91768 Infinity 1.939751 Infinity
31014
562 pt 5.34756 1.04923 3.70825 -Infinity 1.999919 -Infinity
31015
563 pt 5.98982 2.14258 2.30713 Infinity 2.152698 Infinity
31016
564 pt 6.65078 0.94141 5.07246 Infinity 1.629276 Infinity
31017
565 pt 3.61035 -3.88119 4.41975 -Infinity 1.561149 -Infinity
31018
566 pt 4.99800 -5.15308 4.25310 Infinity 1.364826 Infinity
31019
567 pt 4.23673 -2.18743 3.86305 Infinity 1.765789 Infinity
31020
568 pt 16.55098 -4.56507 -5.66568 -Infinity 0.820222 -Infinity
31021
569 pt 16.10202 -5.29853 -7.34840 Infinity 0.803540 Infinity
31022
570 pt 14.97081 -4.12486 -4.72740 Infinity 0.902496 Infinity
31023
571 pt 12.32977 3.20161 -0.44966 -Infinity 1.247957 -Infinity
31024
572 pt 12.49387 2.07325 1.05730 Infinity 1.208296 Infinity
31025
573 pt 14.03885 3.51422 -1.19289 Infinity 1.102337 Infinity
31026
574 pt 12.85310 0.36468 3.80632 -Infinity 1.096535 -Infinity
31027
575 pt 11.46515 0.47487 5.08401 Infinity 1.157066 Infinity
31028
576 pt 14.32255 1.40539 4.37966 Infinity 1.003283 Infinity
31029
577 pt 16.39471 3.96915 5.44334 -Infinity 0.883908 -Infinity
31030
578 pt 15.99966 5.80753 5.25526 Infinity 0.899504 Infinity
31031
579 pt 16.08589 3.43703 7.23011 Infinity 0.862699 Infinity
31032
580 pt 21.27508 3.59124 3.64663 -Infinity 0.718147 -Infinity
31033
581 pt 19.48454 3.60088 4.25074 Infinity 0.773788 Infinity
31034
582 pt 21.52872 2.15274 2.44769 Infinity 0.715558 Infinity
31035
583 pt 17.24679 3.47794 -2.06959 -Infinity 0.900737 -Infinity
31036
584 pt 18.23170 2.11593 -1.20590 Infinity 0.851499 Infinity
31037
585 pt 17.41560 3.28798 -3.94215 Infinity 0.882067 Infinity
31038
586 pt 18.49154 -4.12954 2.42115 -Infinity 0.767805 -Infinity
31039
587 pt 16.73925 -4.20485 1.71767 Infinity 0.834569 Infinity
31040
588 pt 18.41250 -4.09154 4.30884 Infinity 0.756429 Infinity
31041
589 pt 7.53357 4.48700 0.40331 -Infinity 1.972184 -Infinity
31042
590 pt 7.59406 6.06611 1.43957 Infinity 1.836223 Infinity
31043
591 pt 9.29019 3.97392 -0.06798 Infinity 1.635666 Infinity
31044
592 pt 20.65249 -0.46879 -0.62065 -Infinity 0.742013 -Infinity
31045
593 pt 21.10073 -1.36663 -2.22190 Infinity 0.720141 Infinity
31046
594 pt 19.94429 -1.70626 0.61959 Infinity 0.754220 Infinity
31047
595 pt 13.52227 -4.06900 1.02423 -Infinity 0.989298 -Infinity
31048
596 pt 13.09220 -2.48997 1.96911 Infinity 1.049686 Infinity
31049
597 pt 12.74060 -4.00811 -0.69517 Infinity 1.043345 Infinity
31050
598 pt 9.09712 -0.64342 -6.27013 -Infinity 1.359410 -Infinity
31051
599 pt 7.84480 0.56110 -5.52721 Infinity 1.602238 Infinity
31052
600 pt 9.85213 0.11293 -7.82864 Infinity 1.241330 Infinity
31053
601 pt 11.56978 -4.32771 -3.74550 -Infinity 1.084046 -Infinity
31054
602 pt 10.70353 -2.87590 -4.58983 Infinity 1.186957 Infinity
31055
603 pt 10.59355 -5.91476 -4.06068 Infinity 1.066266 Infinity
31056
604 pt -14.37489 14.79257 2.86219 -Infinity 0.877014 -Infinity
31057
605 pt -15.47905 14.28181 1.41616 Infinity 0.862855 Infinity
31058
606 pt -15.30356 14.53327 4.48743 Infinity 0.832986 Infinity
31059
607 pt -12.43164 7.91277 5.06407 -Infinity 1.139244 -Infinity
31060
608 pt -12.77931 6.05652 5.13127 Infinity 1.150799 Infinity
31061
609 pt -13.04589 8.61058 3.41882 Infinity 1.128000 Infinity
31062
610 pt -20.46172 8.37994 1.57159 -Infinity 0.775894 -Infinity
31063
611 pt -21.62527 8.42576 0.08326 Infinity 0.739892 Infinity
31064
612 pt -20.40127 6.62562 2.27144 Infinity 0.787317 Infinity
31065
613 pt -10.86252 18.03317 4.58925 -Infinity 0.857169 -Infinity
31066
614 pt -11.65106 19.20654 5.84323 Infinity 0.784164 Infinity
31067
615 pt -12.20393 16.96664 3.79287 Infinity 0.868164 Infinity
31068
616 pt -7.62740 9.69343 5.20696 -Infinity 1.414704 -Infinity
31069
617 pt -9.43537 9.14433 5.23531 Infinity 1.305441 Infinity
31070
618 pt -6.70486 8.75718 3.84924 Infinity 1.687472 Infinity
31071
619 pt -7.64291 14.62145 6.82715 -Infinity 1.041514 -Infinity
31072
620 pt -8.81645 15.74988 5.86771 Infinity 0.981206 Infinity
31073
621 pt -7.64061 12.90154 6.04421 Infinity 1.163334 Infinity
31074
622 pt -20.78295 18.64519 -0.96947 -Infinity 0.634248 -Infinity
31075
623 pt -22.28422 19.79280 -0.95368 Infinity 0.590075 Infinity
31076
624 pt -20.09737 18.47897 0.78365 Infinity 0.649070 Infinity
31077
625 pt -18.03112 12.78641 -0.37097 -Infinity 0.809668 -Infinity
31078
626 pt -18.79751 11.19561 0.30214 Infinity 0.807930 Infinity
31079
627 pt -19.39700 14.04201 -0.73004 Infinity 0.742395 Infinity
31080
628 pt -19.67270 18.34853 4.18051 -Infinity 0.646965 -Infinity
31081
629 pt -19.07920 19.95699 4.97529 Infinity 0.628288 Infinity
31082
630 pt -18.93722 16.87665 5.10988 Infinity 0.680187 Infinity
31083
631 pt -7.81311 14.55523 -7.57306 -Infinity 1.087829 -Infinity
31084
632 pt -7.71574 15.21060 -5.80329 Infinity 1.104171 Infinity
31085
633 pt -9.55634 13.90899 -7.91156 Infinity 1.043056 Infinity
31086
634 pt -12.91456 19.83860 -2.99530 -Infinity 0.779143 -Infinity
31087
635 pt -14.66101 20.20464 -3.61741 Infinity 0.728322 Infinity
31088
636 pt -12.10813 21.44060 -2.40004 Infinity 0.749941 Infinity
31089
637 pt -8.87660 13.43908 0.41733 -Infinity 1.227569 -Infinity
31090
638 pt -10.53234 13.62315 1.30935 Infinity 1.111826 Infinity
31091
639 pt -8.81469 11.76606 -0.45916 Infinity 1.368893 Infinity
31092
640 pt -13.92410 9.28422 0.20930 -Infinity 1.097613 -Infinity
31093
641 pt -15.16856 10.67930 -0.06661 Infinity 0.983382 Infinity
31094
642 pt -14.55155 7.70598 -0.61927 Infinity 1.098372 Infinity
31095
643 pt -8.63770 8.92541 -2.02873 -Infinity 1.640260 -Infinity
31096
644 pt -10.49534 8.60674 -2.16548 Infinity 1.430408 Infinity
31097
645 pt -7.82585 8.65764 -3.71404 Infinity 1.724503 Infinity
31098
646 pt -8.36052 17.33965 -2.88367 -Infinity 1.002560 -Infinity
31099
647 pt -8.42221 15.95092 -1.60356 Infinity 1.087487 Infinity
31100
648 pt -10.04043 18.20163 -2.96091 Infinity 0.911084 Infinity
31101
649 pt -17.64138 21.10221 -4.49208 -Infinity 0.647172 -Infinity
31102
650 pt -17.92012 22.97115 -4.47104 Infinity 0.609247 Infinity
31103
651 pt -18.78690 20.27925 -3.23448 Infinity 0.644443 Infinity
31104
652 pt -14.54628 14.75833 -4.13211 -Infinity 0.880070 -Infinity
31105
653 pt -14.06087 16.47714 -3.51475 Infinity 0.848733 Infinity
31106
654 pt -15.86953 14.03037 -2.99625 Infinity 0.858095 Infinity
31107
655 pt -1.04546 8.94451 2.24417 -Infinity 2.482933 -Infinity
31108
656 pt -2.65255 8.05186 1.80657 Infinity 2.723626 Infinity
31109
657 pt -0.44648 8.36963 3.94176 Infinity 2.277293 Infinity
31110
658 pt 5.16508 13.32438 6.05088 -Infinity 1.201570 -Infinity
31111
659 pt 7.05449 13.29983 6.07491 Infinity 1.126522 Infinity
31112
660 pt 4.50188 12.01580 7.24204 Infinity 1.244976 Infinity
31113
661 pt 1.96912 11.73597 -0.97359 -Infinity 1.882704 -Infinity
31114
662 pt 1.09758 10.57929 0.24032 Infinity 2.188280 Infinity
31115
663 pt 3.83434 11.67275 -0.67690 Infinity 1.753790 Infinity
31116
664 pt 0.76238 12.80549 -5.83943 -Infinity 1.531582 -Infinity
31117
665 pt 1.04281 12.24137 -4.05780 Infinity 1.725410 Infinity
31118
666 pt 2.40942 12.81194 -6.76587 Infinity 1.429352 Infinity
31119
667 pt 0.15043 17.50833 -3.76897 -Infinity 1.126805 -Infinity
31120
668 pt 1.73837 17.89872 -2.82182 Infinity 1.096986 Infinity
31121
669 pt 0.21618 15.73011 -4.40511 Infinity 1.268179 Infinity
31122
670 pt -3.54352 13.76947 1.45805 -Infinity 1.456680 -Infinity
31123
671 pt -2.76164 12.05159 1.55084 Infinity 1.734576 Infinity
31124
672 pt -5.38998 13.60335 1.09190 Infinity 1.402756 Infinity
31125
673 pt 2.22953 15.85317 2.70725 -Infinity 1.218751 -Infinity
31126
674 pt 1.35282 14.64549 1.54796 Infinity 1.387825 Infinity
31127
675 pt 3.30635 14.88966 3.92511 Infinity 1.237472 Infinity
31128
676 pt 2.11673 20.02869 5.67852 -Infinity 0.890233 -Infinity
31129
677 pt 1.23597 19.78645 7.33280 Infinity 0.872135 Infinity
31130
678 pt 1.84611 18.50721 4.59089 Infinity 0.991320 Infinity
31131
679 pt -6.69652 19.79347 -7.29387 -Infinity 0.867692 -Infinity
31132
680 pt -6.97569 19.52568 -5.44416 Infinity 0.900821 Infinity
31133
681 pt -7.32302 18.28919 -8.25080 Infinity 0.902247 Infinity
31134
682 pt -3.80636 20.07667 -1.62083 -Infinity 0.949856 -Infinity
31135
683 pt -2.40326 18.98149 -2.25563 Infinity 1.027337 Infinity
31136
684 pt -5.40969 19.07811 -1.56368 Infinity 0.982828 Infinity
31137
685 pt 7.18683 20.32978 4.21068 -Infinity 0.835628 -Infinity
31138
686 pt 5.40853 20.09761 4.80635 Infinity 0.865541 Infinity
31139
687 pt 7.75818 18.77139 3.30733 Infinity 0.898649 Infinity
31140
688 pt 4.39482 18.66951 -1.00442 -Infinity 1.010286 -Infinity
31141
689 pt 6.23176 18.23131 -0.93606 Infinity 0.994673 Infinity
31142
690 pt 3.49552 17.84578 0.43913 Infinity 1.075755 Infinity
31143
691 pt -5.81876 7.99781 -6.42792 -Infinity 1.826830 -Infinity
31144
692 pt -4.63187 9.19519 -7.28155 Infinity 1.708531 Infinity
31145
693 pt -7.52198 8.11249 -7.23845 Infinity 1.542333 Infinity
31146
694 pt 5.30559 7.12031 -6.74311 -Infinity 1.824639 -Infinity
31147
695 pt 6.93611 7.44340 -7.64204 Infinity 1.511978 Infinity
31148
696 pt 4.65079 8.73982 -6.02236 Infinity 1.837079 Infinity
31149
697 pt -3.27421 16.92806 5.59097 -Infinity 1.052369 -Infinity
31150
698 pt -2.79937 16.12480 3.94769 Infinity 1.164457 Infinity
31151
699 pt -4.83246 16.10226 6.26993 Infinity 1.054046 Infinity
31152
700 pt 10.51248 12.75893 5.91032 -Infinity 1.006232 -Infinity
31153
701 pt 11.46401 14.06131 4.92571 Infinity 0.943920 Infinity
31154
702 pt 11.55857 12.18785 7.37682 Infinity 0.940152 Infinity
31155
703 pt 21.02074 11.18789 5.73531 -Infinity 0.672429 -Infinity
31156
704 pt 21.66297 9.94320 4.46670 Infinity 0.675363 Infinity
31157
705 pt 20.70567 10.30882 7.37818 Infinity 0.672882 Infinity
31158
706 pt 11.20937 10.51555 -3.38202 -Infinity 1.166303 -Infinity
31159
707 pt 11.48668 8.96435 -4.42506 Infinity 1.186698 Infinity
31160
708 pt 12.62684 10.70719 -2.14706 Infinity 1.073951 Infinity
31161
709 pt 16.06061 9.92001 4.83481 -Infinity 0.857900 -Infinity
31162
710 pt 17.84160 10.54773 4.90630 Infinity 0.781411 Infinity
31163
711 pt 15.21809 10.22142 6.49926 Infinity 0.858748 Infinity
31164
712 pt 17.75792 17.66393 4.65602 -Infinity 0.674464 -Infinity
31165
713 pt 17.42673 18.04203 6.47768 Infinity 0.660994 Infinity
31166
714 pt 19.60913 17.81332 4.30706 Infinity 0.635365 Infinity
31167
715 pt 14.98492 17.10310 -3.44561 -Infinity 0.775106 -Infinity
31168
716 pt 14.76780 16.76149 -1.59974 Infinity 0.795097 Infinity
31169
717 pt 16.74635 16.65916 -3.96652 Infinity 0.734336 Infinity
31170
718 pt 14.03992 15.74713 1.58747 -Infinity 0.838102 -Infinity
31171
719 pt 15.34080 16.47475 2.74909 Infinity 0.771723 Infinity
31172
720 pt 14.54356 13.99345 1.09552 Infinity 0.871173 Infinity
31173
721 pt 18.99371 8.50352 -2.41117 -Infinity 0.795402 -Infinity
31174
722 pt 19.44916 9.04610 -4.16310 Infinity 0.766240 Infinity
31175
723 pt 18.42888 6.70035 -2.43589 Infinity 0.833177 Infinity
31176
724 pt 8.85095 16.48082 0.99141 -Infinity 0.999153 -Infinity
31177
725 pt 10.73545 16.40647 1.11062 Infinity 0.933765 Infinity
31178
726 pt 8.17348 14.75557 0.62315 Infinity 1.127962 Infinity
31179
727 pt 7.14384 11.58929 -0.29710 -Infinity 1.454036 -Infinity
31180
728 pt 7.40502 10.45318 1.19022 Infinity 1.506692 Infinity
31181
729 pt 8.46422 11.23451 -1.60162 Infinity 1.367665 Infinity
31182
730 pt 19.81226 16.06567 -5.07812 -Infinity 0.662888 -Infinity
31183
731 pt 20.03935 16.89810 -6.75936 Infinity 0.637608 Infinity
31184
732 pt 20.82779 16.98519 -3.77648 Infinity 0.632481 Infinity
31185
733 pt 11.45763 14.85064 -6.33230 -Infinity 0.930642 -Infinity
31186
734 pt 11.11921 13.25384 -5.38006 Infinity 1.022336 Infinity
31187
735 pt 12.79667 15.84401 -5.44277 Infinity 0.862471 Infinity
31188
736 pt 12.05188 21.30956 -4.22413 -Infinity 0.730356 -Infinity
31189
737 pt 11.29608 21.78184 -2.55776 Infinity 0.737348 Infinity
31190
738 pt 13.19792 19.82400 -3.99882 Infinity 0.747608 Infinity
31191
739 pt 8.22931 8.58297 3.72201 -Infinity 1.445851 -Infinity
31192
740 pt 9.25767 10.05863 4.30165 Infinity 1.247981 Infinity
31193
741 pt 7.92217 7.41736 5.17737 Infinity 1.440269 Infinity
31194
742 pt 15.15190 10.95722 -0.04347 -Infinity 0.926274 -Infinity
31195
743 pt 15.25739 10.37303 1.75059 Infinity 0.923027 Infinity
31196
744 pt 16.58026 10.21533 -1.03363 Infinity 0.875677 Infinity
31197
745 pt -17.86368 -6.72740 21.14776 -Infinity 0.533446 -Infinity
31198
746 pt -17.49533 -7.28540 22.91525 Infinity 0.510922 Infinity
31199
747 pt -17.77188 -8.21400 19.98472 Infinity 0.539700 Infinity
31200
748 pt -17.83773 -10.42268 17.78667 -Infinity 0.548716 -Infinity
31201
749 pt -17.79932 -10.25219 15.90504 Infinity 0.574169 Infinity
31202
750 pt -16.96417 -12.01990 18.29344 Infinity 0.537024 Infinity
31203
751 pt -13.40370 -15.47948 10.67091 -Infinity 0.619870 -Infinity
31204
752 pt -13.53831 -13.67008 11.19914 Infinity 0.644374 Infinity
31205
753 pt -12.62792 -15.57851 8.95061 Infinity 0.646102 Infinity
31206
754 pt -9.03126 -8.80730 21.17834 -Infinity 0.595739 -Infinity
31207
755 pt -8.72983 -7.03533 21.76174 Infinity 0.603940 Infinity
31208
756 pt -7.41888 -9.78766 21.27921 Infinity 0.593598 Infinity
31209
757 pt -10.10062 -18.37840 13.55774 -Infinity 0.569886 -Infinity
31210
758 pt -11.10067 -17.13022 12.55126 Infinity 0.593679 Infinity
31211
759 pt -9.06126 -19.44149 12.39127 Infinity 0.571165 Infinity
31212
760 pt -7.73996 -19.83490 18.06084 -Infinity 0.514398 -Infinity
31213
761 pt -8.67690 -21.45781 18.30452 Infinity 0.489165 Infinity
31214
762 pt -8.39471 -18.95314 16.52303 Infinity 0.539323 Infinity
31215
763 pt -18.52992 -9.50266 12.70860 -Infinity 0.612086 -Infinity
31216
764 pt -16.76597 -9.99740 12.24515 Infinity 0.640639 Infinity
31217
765 pt -18.70052 -7.62251 12.62491 Infinity 0.631769 Infinity
31218
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31219
767 pt -11.96667 -19.32979 7.31541 Infinity 0.593848 Infinity
31220
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31221
769 pt -13.47261 -10.58724 12.60295 -Infinity 0.679602 -Infinity
31222
770 pt -12.33100 -9.39950 11.67717 Infinity 0.738551 Infinity
31223
771 pt -12.78421 -10.90334 14.33421 Infinity 0.655014 Infinity
31224
772 pt -13.66249 -21.06408 16.07793 -Infinity 0.488190 -Infinity
31225
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31226
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31227
775 pt -11.49719 -11.71175 17.27747 -Infinity 0.608770 -Infinity
31228
776 pt -11.11699 -10.47761 18.65711 Infinity 0.605172 Infinity
31229
777 pt -9.88753 -12.49065 16.66642 Infinity 0.622466 Infinity
31230
778 pt 1.81061 -6.67089 19.22981 -Infinity 0.698651 -Infinity
31231
779 pt 1.31046 -7.67125 20.75303 Infinity 0.648847 Infinity
31232
780 pt 1.02903 -7.43527 17.68841 Infinity 0.732246 Infinity
31233
781 pt 7.20434 -8.05429 13.79590 -Infinity 0.782221 -Infinity
31234
782 pt 6.62344 -6.57519 14.81860 Infinity 0.791359 Infinity
31235
783 pt 5.73906 -8.78191 12.85008 Infinity 0.812099 Infinity
31236
784 pt 7.76602 -14.70599 13.02331 -Infinity 0.650645 -Infinity
31237
785 pt 6.99487 -13.08572 13.61588 Infinity 0.680545 Infinity
31238
786 pt 6.55055 -15.60598 11.89030 Infinity 0.659195 Infinity
31239
787 pt 0.62301 -19.93930 12.48493 -Infinity 0.587882 -Infinity
31240
788 pt -0.84936 -18.80563 12.82841 Infinity 0.606223 Infinity
31241
789 pt 0.04429 -21.44389 11.49884 Infinity 0.570329 Infinity
31242
790 pt -6.70181 -12.71457 15.81551 -Infinity 0.658956 -Infinity
31243
791 pt -6.56356 -10.89038 15.34191 Infinity 0.704449 Infinity
31244
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31245
793 pt 4.18348 -17.03332 10.04953 -Infinity 0.668046 -Infinity
31246
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31247
795 pt 3.15166 -15.97281 8.87407 Infinity 0.717378 Infinity
31248
796 pt -6.54502 -7.68307 14.28458 -Infinity 0.800705 -Infinity
31249
797 pt -5.80650 -8.26282 12.64460 Infinity 0.847134 Infinity
31250
798 pt -5.50129 -6.27068 14.98233 Infinity 0.820627 Infinity
31251
799 pt 1.50513 -20.28183 17.58943 -Infinity 0.526271 -Infinity
31252
800 pt -0.12634 -21.20715 17.82003 Infinity 0.512708 Infinity
31253
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31254
802 pt 3.08731 -9.67060 11.44631 -Infinity 0.858266 -Infinity
31255
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31256
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31257
805 pt -3.70744 -16.64423 13.77095 -Infinity 0.631992 -Infinity
31258
806 pt -5.19637 -15.55738 14.18679 Infinity 0.641535 Infinity
31259
807 pt -3.57428 -16.84157 11.89628 Infinity 0.655385 Infinity
31260
808 pt -3.06808 -17.24966 8.86368 -Infinity 0.688116 -Infinity
31261
809 pt -1.70213 -16.29013 7.97793 Infinity 0.730353 Infinity
31262
810 pt -3.78968 -18.54571 7.69295 Infinity 0.665188 Infinity
31263
811 pt -0.63311 -7.83311 14.61174 -Infinity 0.823176 -Infinity
31264
812 pt -1.75239 -8.84530 13.47432 Infinity 0.833072 Infinity
31265
813 pt -1.42398 -6.14833 14.93898 Infinity 0.851410 Infinity
31266
814 pt -2.77863 -14.83546 18.63298 -Infinity 0.590525 -Infinity
31267
815 pt -2.74440 -15.72082 16.96384 Infinity 0.602857 Infinity
31268
816 pt -1.77459 -15.82402 19.89225 Infinity 0.558942 Infinity
31269
817 pt 5.72333 -20.72127 20.64064 -Infinity 0.481536 -Infinity
31270
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31271
819 pt 4.47252 -20.44876 19.25057 Infinity 0.501409 Infinity
31272
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31273
821 pt -3.37923 -10.70205 9.04817 Infinity 0.900740 Infinity
31274
822 pt -4.33161 -7.76625 9.07671 Infinity 1.018611 Infinity
31275
823 pt 10.34836 -9.49958 17.59388 -Infinity 0.632413 -Infinity
31276
824 pt 9.30095 -9.02092 16.09559 Infinity 0.680769 Infinity
31277
825 pt 9.22202 -10.11823 18.97941 Infinity 0.610391 Infinity
31278
826 pt 15.16747 -9.43813 12.28267 -Infinity 0.655160 -Infinity
31279
827 pt 14.65660 -7.93999 13.31498 Infinity 0.668834 Infinity
31280
828 pt 16.83833 -10.08107 12.88759 Infinity 0.611165 Infinity
31281
829 pt 13.85189 -13.16259 17.73509 -Infinity 0.550899 -Infinity
31282
830 pt 13.83043 -14.08908 16.08821 Infinity 0.560218 Infinity
31283
831 pt 12.48819 -11.85441 17.74090 Infinity 0.578809 Infinity
31284
832 pt 19.65289 -11.14103 14.31439 -Infinity 0.544623 -Infinity
31285
833 pt 19.20178 -10.54847 16.05119 Infinity 0.538029 Infinity
31286
834 pt 21.35988 -10.47962 13.84560 Infinity 0.532896 Infinity
31287
835 pt 13.63110 -19.83527 8.24224 -Infinity 0.552314 -Infinity
31288
836 pt 14.68379 -18.57292 9.17464 Infinity 0.555135 Infinity
31289
837 pt 11.82781 -19.27035 8.23457 Infinity 0.578474 Infinity
31290
838 pt 12.96202 -14.11221 12.55141 -Infinity 0.611980 -Infinity
31291
839 pt 11.07578 -14.21068 12.49221 Infinity 0.633398 Infinity
31292
840 pt 13.51033 -12.32833 12.25447 Infinity 0.637216 Infinity
31293
841 pt 20.72502 -13.85279 9.48197 -Infinity 0.542519 -Infinity
31294
842 pt 20.72056 -12.68173 10.96510 Infinity 0.544511 Infinity
31295
843 pt 21.86269 -13.16541 8.13873 Infinity 0.542684 Infinity
31296
844 pt 13.58066 -7.55220 7.80552 -Infinity 0.796210 -Infinity
31297
845 pt 11.96336 -6.70453 8.29220 Infinity 0.853480 Infinity
31298
846 pt 14.27591 -8.48667 9.29362 Infinity 0.734630 Infinity
31299
847 pt 17.00850 -9.18744 18.65707 -Infinity 0.544987 -Infinity
31300
848 pt 16.09019 -10.81679 18.38691 Infinity 0.544182 Infinity
31301
849 pt 16.13605 -8.18695 20.00203 Infinity 0.544865 Infinity
31302
850 pt 10.69448 -18.87820 14.87488 -Infinity 0.536951 -Infinity
31303
851 pt 12.18823 -18.69705 13.73165 Infinity 0.539211 Infinity
31304
852 pt 9.42892 -17.53227 14.47750 Infinity 0.569329 Infinity
31305
853 pt 8.54037 -18.70955 7.59686 -Infinity 0.623916 -Infinity
31306
854 pt 8.14828 -20.18495 6.48308 Infinity 0.604453 Infinity
31307
855 pt 7.01130 -18.26233 8.61323 Infinity 0.636961 Infinity
31308
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31309
857 pt 18.33712 -15.85175 10.18691 Infinity 0.544518 Infinity
31310
858 pt 15.60622 -15.77011 11.62298 Infinity 0.566018 Infinity
31311
859 pt -14.35788 1.01060 18.28953 -Infinity 0.668880 -Infinity
31312
860 pt -12.58031 0.63086 18.80636 Infinity 0.682945 Infinity
31313
861 pt -15.21831 -0.58863 17.76687 Infinity 0.660225 Infinity
31314
862 pt -10.71732 -4.55712 15.61761 -Infinity 0.755744 -Infinity
31315
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31316
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31317
865 pt -18.95549 4.15384 8.42968 -Infinity 0.773325 -Infinity
31318
866 pt -17.93013 2.58159 8.64814 Infinity 0.803885 Infinity
31319
867 pt -19.87398 4.08392 6.77966 Infinity 0.768227 Infinity
31320
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31321
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31322
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31323
871 pt -19.46899 -4.41128 13.56380 -Infinity 0.635018 -Infinity
31324
872 pt -17.87504 -3.87704 14.42692 Infinity 0.655895 Infinity
31325
873 pt -20.75023 -4.91302 14.85907 Infinity 0.591009 Infinity
31326
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31327
875 pt -16.14148 -4.92801 18.56519 Infinity 0.604366 Infinity
31328
876 pt -13.86076 -4.37499 16.56039 Infinity 0.681530 Infinity
31329
877 pt -15.93707 -0.20604 8.36100 -Infinity 0.869653 -Infinity
31330
878 pt -14.57889 -0.79265 9.53670 Infinity 0.884566 Infinity
31331
879 pt -17.17813 -1.60378 8.08316 Infinity 0.815004 Infinity
31332
880 pt -14.77929 5.29642 15.34940 -Infinity 0.734049 -Infinity
31333
881 pt -14.78921 3.83309 16.54508 Infinity 0.706281 Infinity
31334
882 pt -13.89403 4.80218 13.75469 Infinity 0.800686 Infinity
31335
883 pt -19.13112 -4.29165 8.40807 -Infinity 0.718963 -Infinity
31336
884 pt -20.80993 -4.58443 7.59141 Infinity 0.682125 Infinity
31337
885 pt -19.34242 -4.24398 10.28534 Infinity 0.687407 Infinity
31338
886 pt -12.00021 -1.54854 11.49486 -Infinity 0.901963 -Infinity
31339
887 pt -10.32772 -1.52533 10.61549 Infinity 0.996679 Infinity
31340
888 pt -11.89258 -2.65038 13.02634 Infinity 0.836546 Infinity
31341
889 pt -9.44113 -1.08731 19.32085 -Infinity 0.703446 -Infinity
31342
890 pt -9.11077 -2.31293 20.72076 Infinity 0.662262 Infinity
31343
891 pt -8.28777 0.39907 19.49828 Infinity 0.719924 Infinity
31344
892 pt -18.77413 7.27244 12.60862 -Infinity 0.693387 -Infinity
31345
893 pt -17.42928 6.60547 13.75649 Infinity 0.705961 Infinity
31346
894 pt -18.91657 6.15792 11.08920 Infinity 0.721975 Infinity
31347
895 pt -12.53797 3.70249 11.02413 -Infinity 0.940063 -Infinity
31348
896 pt -12.15385 1.91861 11.51533 Infinity 0.930897 Infinity
31349
897 pt -13.21792 3.73907 9.26135 Infinity 0.979996 Infinity
31350
898 pt 5.45115 -4.11504 16.61275 -Infinity 0.790724 -Infinity
31351
899 pt 4.26702 -4.96270 17.81706 Infinity 0.750468 Infinity
31352
900 pt 4.50981 -2.82030 15.60845 Infinity 0.859938 Infinity
31353
901 pt 0.10409 2.35483 19.91382 -Infinity 0.759709 -Infinity
31354
902 pt -0.78443 3.53731 21.08997 Infinity 0.721037 Infinity
31355
903 pt -0.44436 0.58157 20.26854 Infinity 0.741420 Infinity
31356
904 pt -7.25769 -1.01792 9.68711 -Infinity 1.186669 -Infinity
31357
905 pt -7.36192 0.34403 8.38123 Infinity 1.324449 Infinity
31358
906 pt -6.38326 -0.35238 11.22447 Infinity 1.128376 Infinity
31359
907 pt -3.60304 -3.69805 15.84667 -Infinity 0.855666 -Infinity
31360
908 pt -4.30929 -2.14053 15.04269 Infinity 0.912386 Infinity
31361
909 pt -2.90856 -3.26892 17.55096 Infinity 0.799481 Infinity
31362
910 pt -5.16822 0.93584 13.95799 -Infinity 1.001759 -Infinity
31363
911 pt -6.27962 2.26872 14.70584 Infinity 0.948878 Infinity
31364
912 pt -3.36800 1.50709 14.02089 Infinity 1.030357 Infinity
31365
913 pt -5.45418 -5.22758 7.37469 -Infinity 1.216472 -Infinity
31366
914 pt -6.16250 -3.72513 8.27581 Infinity 1.219498 Infinity
31367
915 pt -4.07588 -4.67141 6.20763 Infinity 1.383440 Infinity
31368
916 pt -1.29326 -2.63744 20.40035 -Infinity 0.714373 -Infinity
31369
917 pt 0.00075 -3.99019 20.14215 Infinity 0.709109 Infinity
31370
918 pt -2.05263 -2.81105 22.12206 Infinity 0.662980 Infinity
31371
919 pt 3.32394 6.59266 15.37576 -Infinity 0.931087 -Infinity
31372
920 pt 2.22603 7.99704 16.00295 Infinity 0.895060 Infinity
31373
921 pt 2.28477 5.02981 15.15510 Infinity 0.965928 Infinity
31374
922 pt 3.11322 -0.68140 13.59847 -Infinity 1.015893 -Infinity
31375
923 pt 1.91026 0.64293 14.20683 Infinity 1.013262 Infinity
31376
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31377
925 pt 1.77229 -1.95877 8.96306 -Infinity 1.360919 -Infinity
31378
926 pt 2.51964 -3.14044 7.69176 Infinity 1.387395 Infinity
31379
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31380
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31381
929 pt -5.85159 4.98088 8.00264 Infinity 1.504358 Infinity
31382
930 pt -5.90138 8.06107 7.81102 Infinity 1.409852 Infinity
31383
931 pt 5.15097 3.62175 19.56523 -Infinity 0.746635 -Infinity
31384
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31385
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31386
934 pt -0.39771 3.00873 14.94090 -Infinity 0.996175 -Infinity
31387
935 pt -1.45900 4.50417 14.48440 Infinity 1.022435 Infinity
31388
936 pt -0.36954 2.80484 16.81938 Infinity 0.891719 Infinity
31389
937 pt -6.64425 3.06741 20.98054 -Infinity 0.698459 -Infinity
31390
938 pt -8.05623 3.05400 22.23640 Infinity 0.652721 Infinity
31391
939 pt -5.08996 3.77880 21.78624 Infinity 0.685814 Infinity
31392
940 pt -3.54158 6.82065 13.62283 -Infinity 1.040146 -Infinity
31393
941 pt -4.02153 6.90553 11.79704 Infinity 1.160860 Infinity
31394
942 pt -5.07584 6.45005 14.66196 Infinity 0.960610 Infinity
31395
943 pt 15.28954 2.36985 10.19334 -Infinity 0.822746 -Infinity
31396
944 pt 14.41916 3.27122 11.60793 Infinity 0.816556 Infinity
31397
945 pt 15.82135 0.65151 10.77261 Infinity 0.784260 Infinity
31398
946 pt 13.60356 5.48760 20.47039 -Infinity 0.619180 -Infinity
31399
947 pt 15.05713 4.42864 21.05075 Infinity 0.590800 Infinity
31400
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31401
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31402
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31403
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31404
952 pt 20.63972 -5.69244 17.81690 -Infinity 0.535625 -Infinity
31405
953 pt 22.06785 -6.15055 18.96654 Infinity 0.503868 Infinity
31406
954 pt 19.21926 -6.91544 18.05699 Infinity 0.543152 Infinity
31407
955 pt 9.03177 -5.69477 9.46747 -Infinity 0.938902 -Infinity
31408
956 pt 8.50798 -6.82408 10.88922 Infinity 0.874101 Infinity
31409
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31410
958 pt 8.08021 -1.06663 11.74698 -Infinity 0.990137 -Infinity
31411
959 pt 9.12326 -1.17998 13.31869 Infinity 0.888874 Infinity
31412
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31413
961 pt 7.59027 6.14260 8.18668 -Infinity 1.275187 -Infinity
31414
962 pt 5.89005 6.69736 8.79706 Infinity 1.315308 Infinity
31415
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31416
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31417
965 pt 15.60889 -3.45022 13.25197 Infinity 0.704285 Infinity
31418
966 pt 18.35499 -2.04460 13.35151 Infinity 0.654871 Infinity
31419
967 pt 10.05784 -1.84146 16.49902 -Infinity 0.753007 -Infinity
31420
968 pt 10.18836 -0.51533 17.83896 Infinity 0.722521 Infinity
31421
969 pt 8.44494 -2.80179 16.71672 Infinity 0.763473 Infinity
31422
970 pt 9.02813 1.27670 7.27225 -Infinity 1.240826 -Infinity
31423
971 pt 8.88814 0.32546 8.89909 Infinity 1.133700 Infinity
31424
972 pt 8.66399 3.10572 7.57747 Infinity 1.268475 Infinity
31425
973 pt 10.01207 1.83638 20.06946 -Infinity 0.674879 -Infinity
31426
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31427
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31428
976 pt 13.02417 4.68103 14.39936 -Infinity 0.776939 -Infinity
31429
977 pt 14.17957 5.93934 15.20732 Infinity 0.725343 Infinity
31430
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31431
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31432
980 pt 21.58447 -0.96895 20.98099 Infinity 0.506769 Infinity
31433
981 pt 20.28909 -2.38668 18.56463 Infinity 0.547022 Infinity
31434
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31435
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31436
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31437
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31438
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31439
987 pt -8.19325 13.85593 9.89740 Infinity 0.946733 Infinity
31440
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31441
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31442
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31443
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31444
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31445
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31446
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31447
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31448
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31449
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31450
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31451
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31452
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31453
1001 pt -17.48318 10.39531 11.86564 Infinity 0.715156 Infinity
31454
1002 pt -14.97921 12.17824 12.14507 Infinity 0.748217 Infinity
31455
1003 pt -11.12400 8.79057 10.23757 -Infinity 0.978518 -Infinity
31456
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31457
1005 pt -11.29041 7.03711 10.92223 Infinity 0.971127 Infinity
31458
1006 pt -21.45678 14.31271 12.50288 -Infinity 0.589545 -Infinity
31459
1007 pt -21.54153 15.99518 13.35914 Infinity 0.564565 Infinity
31460
1008 pt -19.64984 13.79728 12.30202 Infinity 0.628455 Infinity
31461
1009 pt -16.10633 17.16415 16.42899 -Infinity 0.590760 -Infinity
31462
1010 pt -14.88177 15.81374 15.93106 Infinity 0.630031 Infinity
31463
1011 pt -15.33966 18.86107 16.10689 Infinity 0.584955 Infinity
31464
1012 pt -7.99356 20.83351 10.28600 -Infinity 0.727874 -Infinity
31465
1013 pt -9.74673 20.75069 9.58558 Infinity 0.719795 Infinity
31466
1014 pt -6.77769 21.23807 8.89709 Infinity 0.753375 Infinity
31467
1015 pt -0.48096 9.94792 16.49141 -Infinity 0.855190 -Infinity
31468
1016 pt -1.63715 8.87621 15.44943 Infinity 0.918669 Infinity
31469
1017 pt -1.23474 11.66782 16.70313 Infinity 0.817721 Infinity
31470
1018 pt 3.68073 8.66126 10.59626 -Infinity 1.192494 -Infinity
31471
1019 pt 3.34556 7.55119 12.08840 Infinity 1.118628 Infinity
31472
1020 pt 4.73091 10.13819 11.13185 Infinity 1.079512 Infinity
31473
1021 pt -1.30133 18.55492 10.05201 -Infinity 0.856108 -Infinity
31474
1022 pt -1.82918 17.95008 8.34128 Infinity 0.927464 Infinity
31475
1023 pt -2.56977 17.99795 11.33728 Infinity 0.835324 Infinity
31476
1024 pt -2.85348 14.51689 16.98705 -Infinity 0.752511 -Infinity
31477
1025 pt -3.94520 15.24942 15.62961 Infinity 0.773616 Infinity
31478
1026 pt -3.85796 14.34022 18.57792 Infinity 0.705799 Infinity
31479
1027 pt -3.24105 20.38192 17.67302 -Infinity 0.631627 -Infinity
31480
1028 pt -3.66431 19.21288 16.24991 Infinity 0.679153 Infinity
31481
1029 pt -4.67239 21.58459 17.94859 Infinity 0.603140 Infinity
31482
1030 pt -5.50452 17.17532 13.19699 -Infinity 0.786215 -Infinity
31483
1031 pt -6.44575 15.59294 12.77130 Infinity 0.829607 Infinity
31484
1032 pt -6.37051 18.65682 12.40559 Infinity 0.759344 Infinity
31485
1033 pt -0.02940 6.98843 7.01504 -Infinity 1.806928 -Infinity
31486
1034 pt 1.14892 7.71725 8.30014 Infinity 1.535243 Infinity
31487
1035 pt -1.77529 6.90800 7.73368 Infinity 1.672640 Infinity
31488
1036 pt 6.77364 11.90334 13.32147 -Infinity 0.881330 -Infinity
31489
1037 pt 5.80173 11.93368 14.94182 Infinity 0.835849 Infinity
31490
1038 pt 7.65523 13.55779 13.08344 Infinity 0.835818 Infinity
31491
1039 pt 5.41853 14.45453 19.72900 -Infinity 0.660612 -Infinity
31492
1040 pt 4.29088 15.23998 18.43186 Infinity 0.688585 Infinity
31493
1041 pt 7.21714 14.89356 19.35044 Infinity 0.650427 Infinity
31494
1042 pt 2.49850 10.30865 20.89699 -Infinity 0.689871 -Infinity
31495
1043 pt 3.64088 11.79062 20.63277 Infinity 0.678213 Infinity
31496
1044 pt 1.29428 10.17383 19.44691 Infinity 0.739028 Infinity
31497
1045 pt 2.09371 16.12600 16.25693 -Infinity 0.741942 -Infinity
31498
1046 pt 2.10748 16.98537 14.57397 Infinity 0.769938 Infinity
31499
1047 pt 0.33338 15.57742 16.67087 Infinity 0.745852 Infinity
31500
1048 pt 14.28633 10.91695 9.52733 -Infinity 0.816613 -Infinity
31501
1049 pt 13.02180 9.86394 10.45642 Infinity 0.849689 Infinity
31502
1050 pt 16.02887 10.46101 10.09893 Infinity 0.758863 Infinity
31503
1051 pt 14.29889 13.47433 16.69262 -Infinity 0.636234 -Infinity
31504
1052 pt 15.92983 13.60115 17.63867 Infinity 0.596105 Infinity
31505
1053 pt 14.47159 14.33509 15.01920 Infinity 0.654062 Infinity
31506
1054 pt 17.03841 19.26056 9.68544 -Infinity 0.619080 -Infinity
31507
1055 pt 18.47325 20.07919 10.60312 Infinity 0.577601 Infinity
31508
1056 pt 15.79856 20.58105 9.14678 Infinity 0.623826 Infinity
31509
1057 pt 9.26621 16.36007 13.02087 -Infinity 0.748421 -Infinity
31510
1058 pt 11.08685 16.06847 12.60696 Infinity 0.732720 Infinity
31511
1059 pt 8.92705 18.21738 13.10116 Infinity 0.712908 Infinity
31512
1060 pt 10.65504 21.05001 19.19417 -Infinity 0.551953 -Infinity
31513
1061 pt 10.86232 21.99385 17.57020 Infinity 0.560289 Infinity
31514
1062 pt 8.92991 21.37181 19.89520 Infinity 0.550363 Infinity
31515
1063 pt 15.69520 8.39275 16.71258 -Infinity 0.652061 -Infinity
31516
1064 pt 17.58460 8.39920 16.74756 Infinity 0.618987 Infinity
31517
1065 pt 15.05866 10.17177 16.68110 Infinity 0.652722 Infinity
31518
1066 pt 19.27244 9.98683 10.68193 -Infinity 0.670428 -Infinity
31519
1067 pt 19.84426 11.65581 11.35911 Infinity 0.635953 Infinity
31520
1068 pt 20.29169 8.60385 11.46905 Infinity 0.645434 Infinity
31521
1069 pt 14.24259 15.54852 11.91663 -Infinity 0.695978 -Infinity
31522
1070 pt 14.42128 13.96237 10.90507 Infinity 0.735674 Infinity
31523
1071 pt 15.37541 16.88250 11.20370 Infinity 0.665105 Infinity
31524
1072 pt 18.29873 13.25479 20.01464 -Infinity 0.535759 -Infinity
31525
1073 pt 18.56623 15.10155 20.31293 Infinity 0.518102 Infinity
31526
1074 pt 19.95323 12.34986 20.13631 Infinity 0.520384 Infinity
31527
1075 pt 20.88558 8.61600 16.89172 -Infinity 0.563660 -Infinity
31528
1076 pt 21.94354 7.99195 15.45563 Infinity 0.566875 Infinity
31529
1077 pt 21.96532 9.60164 18.08911 Infinity 0.530834 Infinity
31530
1078 pt 10.59272 15.77113 19.59746 -Infinity 0.605105 -Infinity
31531
1079 pt 10.73962 17.64401 19.39297 Infinity 0.586954 Infinity
31532
1080 pt 11.68371 14.90919 18.31767 Infinity 0.626177 Infinity
31533
1081 pt 10.49782 8.34353 11.76116 -Infinity 0.911388 -Infinity
31534
1082 pt 11.20179 7.01541 12.90640 Infinity 0.862300 Infinity
31535
1083 pt 9.29399 9.43500 12.72581 Infinity 0.893576 Infinity
31541
1 a.u. = 0.171524 10**(-8) dyn/esu
31543
Atom X Y Z Electric field (a.u.)
31545
------------------------------------------------------------------------------------------------
31546
------------------------------------------------------------------------
31548
------------------------------------------------------------------------
31549
quantum energy -114.253237065 (-.299972E+06 kjoule/mol)
31550
quantum energy adjusted -114.253237065 (-.299972E+06 kjoule/mol)
31551
quantum energy internal -114.356469325 (-.300243E+06 kjoule/mol)
31552
Bq-nuclear energy 0.103232260 (0.271036E+03 kjoule/mol)
31553
Bq-electron energy 0.000000000 (0.000000E+00 kjoule/mol)
31554
classical energy -7.460516217 (-.195876E+05 kjoule/mol)
31555
total qmmm energy -121.713753282 (-.319559E+06 kjoule/mol)
31556
------------------------------------------------------------------------
31558
Total number of active Bq charges 1083
31559
frozen_density,esp T T
31560
disabling frozen_density,esp due to active qm atoms
31566
ao basis = "ao basis"
31573
input vectors = /home/d3p975/codes/nwchem-svn/nwchem/QA/tests/tce_qmmm_ccsd_opt/perm/fmd.movecs
31574
output vectors = /home/d3p975/codes/nwchem-svn/nwchem/QA/tests/tce_qmmm_ccsd_opt/perm/fmd.movecs
31579
Summary of "ao basis" -> "ao basis" (cartesian)
31580
------------------------------------------------------------------------------
31581
Tag Description Shells Functions and Types
31582
---------------- ------------------------------ ------ ---------------------
31583
O cc-pVDZ 6 15 3s2p1d
31584
C cc-pVDZ 6 15 3s2p1d
31589
Forming initial guess at 1059.0s
31592
Loading old vectors from job with title :
31596
Nuclear repulsion energy = 31.048422743748599
31597
Bq nuclear interaction energy = 0.10325100298917687
31599
Starting SCF solution at 1059.0s
31603
----------------------------------------------
31604
Quadratically convergent ROHF
31606
Convergence threshold : 1.000E-10
31607
Maximum no. of iterations : 200
31608
Final Fock-matrix accuracy: 0.000E+00
31609
----------------------------------------------
31612
#quartets = 1.471E+04 #integrals = 3.752E+05 #direct = 0.0% #cached =100.0%
31615
Integral file = /scratch/fmd.aoints.00
31616
Record size in doubles = 65536 No. of integs per rec = 43688
31617
Max. records in memory = 2 Max. records in file = 225827
31618
No. of bits per label = 8 No. of bits per value = 64
31621
File balance: exchanges= 0 moved= 0 time= 0.0
31623
Nuclear repulsion energy = 31.048422743748599
31624
Bq nuclear interaction energy = 0.10325100298917687
31626
iter energy gnorm gmax time
31627
----- ------------------- --------- --------- --------
31628
1 -113.9148168107 2.85E-04 7.84E-05 944.0
31629
Nuclear repulsion energy = 31.048422743748599
31630
Bq nuclear interaction energy = 0.10325100298917687
31631
2 -113.9148168169 3.32E-08 9.54E-09 944.3
31632
Nuclear repulsion energy = 31.048422743748599
31633
Bq nuclear interaction energy = 0.10325100298917687
31634
3 -113.9148168169 7.72E-12 2.73E-12 944.6
31635
Nuclear repulsion energy = 31.048422743748599
31636
Bq nuclear interaction energy = 0.10325100298917687
31642
Total SCF energy = -113.914816816916
31643
One-electron energy = -217.221200492672
31644
Two-electron energy = 72.154709929018
31645
Nuclear repulsion energy = 31.151673746738
31647
Time for solution = 0.7s
31673
ROHF Final Molecular Orbital Analysis
31674
-------------------------------------
31676
Vector 2 Occ=2.000000E+00 E=-1.134279E+01
31677
MO Center= 2.3E-01, 2.2E+00, -5.9E-01, r^2= 2.7E-02
31678
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
31679
----- ------------ --------------- ----- ------------ ---------------
31682
Vector 3 Occ=2.000000E+00 E=-1.395887E+00
31683
MO Center= -5.8E-01, 1.8E+00, -5.6E-01, r^2= 5.0E-01
31684
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
31685
----- ------------ --------------- ----- ------------ ---------------
31686
2 0.409274 1 O s 3 0.388565 1 O s
31687
17 0.207435 2 C s 19 -0.163872 2 C px
31689
Vector 4 Occ=2.000000E+00 E=-8.542215E-01
31690
MO Center= 1.8E-01, 2.1E+00, -5.8E-01, r^2= 1.4E+00
31691
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
31692
----- ------------ --------------- ----- ------------ ---------------
31693
17 0.355325 2 C s 3 -0.260815 1 O s
31694
18 0.234674 2 C s 31 0.228262 3 H s
31695
36 0.225501 4 H s 2 -0.192084 1 O s
31698
Vector 5 Occ=2.000000E+00 E=-6.768816E-01
31699
MO Center= -2.1E-02, 2.0E+00, -5.8E-01, r^2= 1.3E+00
31700
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
31701
----- ------------ --------------- ----- ------------ ---------------
31702
21 0.368771 2 C pz 6 0.334088 1 O pz
31703
36 -0.235813 4 H s 31 0.233064 3 H s
31706
Vector 6 Occ=2.000000E+00 E=-6.504251E-01
31707
MO Center= -5.0E-01, 1.8E+00, -5.6E-01, r^2= 1.3E+00
31708
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
31709
----- ------------ --------------- ----- ------------ ---------------
31710
4 0.436980 1 O px 19 -0.350896 2 C px
31711
7 0.290095 1 O px 3 -0.254964 1 O s
31712
5 0.203463 1 O py 20 -0.170806 2 C py
31714
Vector 7 Occ=2.000000E+00 E=-5.267257E-01
31715
MO Center= -5.5E-01, 1.8E+00, -5.6E-01, r^2= 9.2E-01
31716
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
31717
----- ------------ --------------- ----- ------------ ---------------
31718
5 0.431563 1 O py 8 0.313169 1 O py
31719
20 0.262823 2 C py 4 -0.192857 1 O px
31720
6 0.182585 1 O pz 23 0.150609 2 C py
31722
Vector 8 Occ=2.000000E+00 E=-4.363206E-01
31723
MO Center= -2.7E-01, 1.9E+00, -5.7E-01, r^2= 1.6E+00
31724
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
31725
----- ------------ --------------- ----- ------------ ---------------
31726
6 0.486194 1 O pz 9 0.408300 1 O pz
31727
31 -0.255508 3 H s 36 0.254849 4 H s
31728
21 -0.216558 2 C pz 5 -0.164211 1 O py
31730
Vector 9 Occ=0.000000E+00 E= 1.468258E-01
31731
MO Center= 4.2E-02, 2.1E+00, -5.8E-01, r^2= 1.7E+00
31732
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
31733
----- ------------ --------------- ----- ------------ ---------------
31734
23 0.584594 2 C py 8 -0.417470 1 O py
31735
20 0.370625 2 C py 5 -0.300427 1 O py
31736
22 -0.275719 2 C px 24 0.250230 2 C pz
31737
7 0.195734 1 O px 9 -0.175794 1 O pz
31738
19 -0.173631 2 C px 21 0.157091 2 C pz
31740
Vector 10 Occ=0.000000E+00 E= 2.233861E-01
31741
MO Center= 9.4E-01, 2.4E+00, -4.5E-01, r^2= 4.0E+00
31742
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
31743
----- ------------ --------------- ----- ------------ ---------------
31744
18 1.913231 2 C s 32 -1.500816 3 H s
31745
37 -1.238366 4 H s 22 0.605874 2 C px
31746
23 0.257308 2 C py 19 0.166066 2 C px
31748
Vector 11 Occ=0.000000E+00 E= 2.911676E-01
31749
MO Center= 9.8E-01, 2.6E+00, -7.9E-01, r^2= 4.1E+00
31750
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
31751
----- ------------ --------------- ----- ------------ ---------------
31752
37 1.929851 4 H s 32 -1.748411 3 H s
31753
24 1.292578 2 C pz 23 -0.448491 2 C py
31754
21 0.340865 2 C pz 9 -0.273181 1 O pz
31757
Vector 12 Occ=0.000000E+00 E= 3.718784E-01
31758
MO Center= 1.1E-01, 2.1E+00, -5.9E-01, r^2= 3.0E+00
31759
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
31760
----- ------------ --------------- ----- ------------ ---------------
31761
3 1.813627 1 O s 22 1.556666 2 C px
31762
18 -1.383257 2 C s 23 0.739521 2 C py
31763
7 0.622619 1 O px 8 0.297687 1 O py
31765
Vector 13 Occ=0.000000E+00 E= 6.835810E-01
31766
MO Center= 6.7E-01, 2.5E+00, -5.6E-01, r^2= 1.7E+00
31767
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
31768
----- ------------ --------------- ----- ------------ ---------------
31769
18 1.047098 2 C s 31 -0.765204 3 H s
31770
36 -0.748062 4 H s 30 -0.297011 2 C dzz
31771
22 0.291475 2 C px 29 0.282347 2 C dyz
31772
23 0.277730 2 C py 17 -0.213904 2 C s
31773
32 0.198273 3 H s 16 -0.195804 2 C s
31775
Vector 14 Occ=0.000000E+00 E= 6.960224E-01
31776
MO Center= 3.0E-01, 2.1E+00, -6.3E-01, r^2= 1.9E+00
31777
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
31778
----- ------------ --------------- ----- ------------ ---------------
31779
23 0.893260 2 C py 20 -0.866237 2 C py
31780
22 -0.458180 2 C px 19 0.400976 2 C px
31781
21 -0.360759 2 C pz 24 0.357354 2 C pz
31783
Vector 15 Occ=0.000000E+00 E= 7.561113E-01
31784
MO Center= 5.1E-02, 2.1E+00, -5.9E-01, r^2= 2.3E+00
31785
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
31786
----- ------------ --------------- ----- ------------ ---------------
31787
24 1.927286 2 C pz 36 0.704957 4 H s
31788
31 -0.692384 3 H s 32 -0.619205 3 H s
31789
23 -0.618460 2 C py 37 0.617342 4 H s
31790
22 0.374151 2 C px 9 -0.324922 1 O pz
31791
6 -0.297099 1 O pz 21 -0.277187 2 C pz
31793
Vector 16 Occ=0.000000E+00 E= 8.352733E-01
31794
MO Center= 5.5E-01, 2.3E+00, -5.8E-01, r^2= 2.5E+00
31795
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
31796
----- ------------ --------------- ----- ------------ ---------------
31797
24 1.509583 2 C pz 32 -1.501780 3 H s
31798
37 1.452963 4 H s 21 -0.764425 2 C pz
31799
27 0.523992 2 C dxz 23 -0.481617 2 C py
31800
36 -0.363835 4 H s 31 0.351014 3 H s
31801
22 0.325706 2 C px 29 0.265048 2 C dyz
31803
Vector 17 Occ=0.000000E+00 E= 8.937451E-01
31804
MO Center= -2.5E-02, 2.0E+00, -5.8E-01, r^2= 1.5E+00
31805
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
31806
----- ------------ --------------- ----- ------------ ---------------
31807
22 0.952057 2 C px 19 -0.904017 2 C px
31808
18 0.899888 2 C s 37 -0.527392 4 H s
31809
23 0.476719 2 C py 32 -0.465400 3 H s
31810
20 -0.444627 2 C py 7 -0.419913 1 O px
31811
26 -0.308100 2 C dxy 4 -0.267901 1 O px
31813
Vector 18 Occ=0.000000E+00 E= 9.595733E-01
31814
MO Center= 5.8E-01, 2.3E+00, -6.3E-01, r^2= 2.7E+00
31815
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
31816
----- ------------ --------------- ----- ------------ ---------------
31817
18 4.074912 2 C s 17 -1.676670 2 C s
31818
37 -1.316883 4 H s 32 -1.257279 3 H s
31819
16 -0.786843 2 C s 22 0.482037 2 C px
31820
3 -0.455447 1 O s 28 -0.288297 2 C dyy
31821
30 -0.240994 2 C dzz 23 0.238149 2 C py
31826
x = -0.59858152 y = 3.58514388 z = -1.07153467
31828
moments of inertia (a.u.)
31830
15.135652855949 -18.084462512728 0.483824480413
31831
-18.084462512728 44.145863713495 2.587219715456
31832
0.483824480413 2.587219715456 47.975374860785
31834
Mulliken analysis of the total density
31835
--------------------------------------
31837
Atom Charge Shell Charges
31838
----------- ------ -------------------------------------------------------
31839
1 O 8 8.47 2.00 0.83 0.92 2.79 1.90 0.02
31840
2 C 6 5.69 2.00 0.70 0.44 1.82 0.59 0.12
31841
3 H 1 0.93 0.75 0.15 0.03
31842
4 H 1 0.92 0.75 0.13 0.03
31844
Multipole analysis of the density wrt the origin
31845
------------------------------------------------
31847
L x y z total open nuclear
31848
- - - - ----- ---- -------
31849
0 0 0 0 0.000000 0.000000 16.000000
31851
1 1 0 0 1.400849 0.000000 -7.570454
31852
1 0 1 0 0.652536 0.000000 58.331938
31853
1 0 0 1 -0.074580 0.000000 -17.227254
31855
2 2 0 0 -10.036331 0.000000 26.758075
31856
2 1 1 0 4.673593 0.000000 -16.889692
31857
2 1 0 1 -1.468614 0.000000 8.298819
31858
2 0 2 0 -3.684514 0.000000 218.588022
31859
2 0 1 1 -1.062836 0.000000 -65.070952
31860
2 0 0 2 -8.052010 0.000000 24.131582
31862
Nuclear repulsion energy = 31.048422743748599
31863
Bq nuclear interaction energy = 0.10325100298917687
31865
Parallel integral file used 27 records with 0 large values
31867
NWChem Extensible Many-Electron Theory Module
31868
---------------------------------------------
31870
======================================================
31871
This portion of the program was automatically
31872
generated by a Tensor Contraction Engine (TCE).
31873
The development of this portion of the program
31874
and TCE was supported by US Department of Energy,
31875
Office of Science, Office of Basic Energy Science.
31876
TCE is a product of Battelle and PNNL.
31877
Please cite: S.Hirata, J.Phys.Chem.A 107, 9887 (2003).
31878
======================================================
31880
General Information
31881
-------------------
31882
Number of processors : 27
31883
Wavefunction type : Restricted Hartree-Fock
31884
No. of electrons : 16
31885
Alpha electrons : 8
31887
No. of orbitals : 80
31888
Alpha orbitals : 40
31890
Alpha frozen cores : 0
31891
Beta frozen cores : 0
31892
Alpha frozen virtuals : 0
31893
Beta frozen virtuals : 0
31894
Spin multiplicity : singlet
31895
Number of AO functions : 40
31896
Number of AO shells : 18
31897
Use of symmetry is : off
31898
Symmetry adaption is : off
31899
Schwarz screening : 0.00E+00
31901
Correlation Information
31902
-----------------------
31903
Calculation type : Coupled-cluster singles & doubles
31904
Perturbative correction : none
31905
Max iterations : 200
31906
Residual threshold : 0.10E-05
31907
T(0) DIIS level shift : 0.00E+00
31908
L(0) DIIS level shift : 0.00E+00
31909
T(1) DIIS level shift : 0.00E+00
31910
L(1) DIIS level shift : 0.00E+00
31911
T(R) DIIS level shift : 0.00E+00
31912
T(I) DIIS level shift : 0.00E+00
31913
CC-T/L Amplitude update : 5-th order DIIS
31914
I/O scheme : Global Array Library
31918
Available GA space size is 2654059007 doubles
31919
Available MA space size is 49130121 doubles
31921
Maximum block size supplied by input
31922
Maximum block size 12 doubles
31926
Block Spin Irrep Size Offset Alpha
31927
-------------------------------------------------
31928
1 alpha a 8 doubles 0 1
31929
2 beta a 8 doubles 8 1
31930
3 alpha a 10 doubles 16 3
31931
4 alpha a 11 doubles 26 4
31932
5 alpha a 11 doubles 37 5
31933
6 beta a 10 doubles 48 3
31934
7 beta a 11 doubles 58 4
31935
8 beta a 11 doubles 69 5
31937
Global array virtual files algorithm will be used
31939
Parallel file system coherency ......... OK
31941
#quartets = 1.471E+04 #integrals = 3.752E+05 #direct = 0.0% #cached =100.0%
31944
Integral file = /scratch/fmd.aoints.00
31945
Record size in doubles = 65536 No. of integs per rec = 43688
31946
Max. records in memory = 2 Max. records in file = 225827
31947
No. of bits per label = 8 No. of bits per value = 64
31950
File balance: exchanges= 0 moved= 0 time= 0.0
31953
Fock matrix recomputed
31954
1-e file size = 1600
31955
1-e file name = /scratch/fmd.f1
31956
1-e file handle = -993
31957
Cpu & wall time / sec 0.1 0.1
31959
2-e (intermediate) file size = 5769600
31960
2-e (intermediate) file name = /scratch/fmd.v2i
31961
Cpu & wall time / sec 0.1 0.1
31963
2-e file size = 3566009
31964
2-e file name = /scratch/fmd.v2
31965
2-e file handle = -991
31966
Cpu & wall time / sec 0.1 0.1
31969
t1 file name = /scratch/fmd.t1
31970
t1 file handle = -992
31971
Cpu & wall time / sec 0.0
31972
before tce_guess_t2
31975
t2 file size = 109248
31976
t2 file name = /scratch/fmd.t2
31977
t2 file handle = -989
31978
Cpu & wall time / sec 0.0
31981
-----------------------------------------------------------------
31982
Iter Residuum Correlation Cpu Wall V2*C2
31983
-----------------------------------------------------------------
31984
1 0.1517352358826 -0.3227624914424 0.2 0.2 0.0
31985
2 0.0553081872736 -0.3256258263327 0.1 0.2 0.0
31986
3 0.0173765882478 -0.3360962439538 0.2 0.2 0.0
31987
4 0.0105544643674 -0.3366302526956 0.2 0.2 0.0
31988
5 0.0044782028273 -0.3378657106575 0.2 0.2 0.0
31989
MICROCYCLE DIIS UPDATE: 5 5
31990
6 0.0016798275029 -0.3382923420132 0.2 0.2 0.0
31991
7 0.0007072774720 -0.3384022478408 0.2 0.2 0.0
31992
8 0.0003972698611 -0.3384060043683 0.2 0.2 0.0
31993
9 0.0002216099010 -0.3384103907335 0.2 0.2 0.0
31994
10 0.0001327668317 -0.3384155366541 0.2 0.2 0.0
31995
MICROCYCLE DIIS UPDATE: 10 5
31996
11 0.0000239827795 -0.3384221703530 0.2 0.2 0.0
31997
12 0.0000134223928 -0.3384227272522 0.2 0.2 0.0
31998
13 0.0000091768629 -0.3384237433863 0.2 0.2 0.0
31999
14 0.0000069593334 -0.3384237965395 0.2 0.2 0.0
32000
15 0.0000053509455 -0.3384239186249 0.2 0.2 0.0
32001
MICROCYCLE DIIS UPDATE: 15 5
32002
16 0.0000011699982 -0.3384239103120 0.2 0.2 0.0
32003
17 0.0000005989768 -0.3384240012031 0.2 0.2 0.0
32004
-----------------------------------------------------------------
32005
Iterations converged
32006
CCSD correlation energy / hartree = -0.338424001203143
32007
CCSD total energy / hartree = -114.253240818119579
32009
Singles contributions
32011
Doubles contributions
32012
9a (alpha) 9a (beta ) --- 7a (alpha) 7a (beta ) -0.1173714846
32014
CCSD Lambda iterations
32015
--------------------------------------
32016
Iter Residuum Cpu Wall
32017
--------------------------------------
32018
1 1.6754005622633 0.4 0.6
32019
2 0.0293398662540 0.5 0.6
32020
3 0.0031845970768 0.5 0.6
32021
4 0.0003680621187 0.5 0.6
32022
5 0.0001070380214 0.5 0.6
32023
MICROCYCLE DIIS UPDATE: 5 5
32024
6 0.0000239975832 0.5 0.6
32025
7 0.0000046388632 0.5 0.6
32026
8 0.0000014912589 0.4 0.6
32027
9 0.0000004839241 0.4 0.6
32028
--------------------------------------
32029
Iterations converged
32031
MO Z-VEC iterations
32032
--------------------------------------
32033
Iter Residuum Cpu Wall
32034
--------------------------------------
32035
1 0.0234899626423 0.0 0.0
32036
2 0.0076595001291 0.0 0.0
32037
3 0.0030615310947 0.0 0.0
32038
4 0.0027694806673 0.0 0.0
32039
5 0.0017253412408 0.0 0.0
32040
MICROCYCLE DIIS UPDATE: 5 5
32041
6 0.0003202862555 0.0 0.0
32042
7 0.0001727840467 0.0 0.0
32043
8 0.0000813617182 0.0 0.0
32044
9 0.0000692439346 0.0 0.0
32045
10 0.0000366962316 0.0 0.0
32046
MICROCYCLE DIIS UPDATE: 10 5
32047
11 0.0000046596135 0.0 0.0
32048
12 0.0000023192908 0.0 0.0
32049
13 0.0000011630582 0.0 0.0
32050
14 0.0000009797388 0.0 0.0
32051
--------------------------------------
32052
Iterations converged
32054
NWChem Gradients Module
32055
-----------------------
32059
wavefunction = TCE RHF CCSD
32063
ccsd ENERGY GRADIENTS
32065
atom coordinates gradient
32067
1 O -1.632165 3.087121 -1.028397 0.013159 0.001934 0.002535
32068
2 C 0.438895 4.084594 -1.115014 -0.000411 -0.000086 0.000367
32069
3 H 1.757938 4.021825 0.509816 -0.000215 0.000071 -0.000127
32070
4 H 1.095558 5.105584 -2.819810 -0.000838 0.000441 0.000281
32072
----------------------------------------
32073
| Time | 1-e(secs) | 2-e(secs) |
32074
----------------------------------------
32075
| CPU | 0.06 | 0.14 |
32076
----------------------------------------
32077
| WALL | 0.14 | 0.14 |
32078
----------------------------------------
32080
Parallel integral file used 27 records with 0 large values
32082
Bq nuclear interaction energy = 0.10325100298917687
32083
Calculating forces on classical charges
32084
---------------------------------------
32085
Total number of charges 1083
32086
NWChem Property Module
32087
----------------------
32091
---------------------------------------------
32092
Electrostatic potential/diamagnetic shielding
32093
---------------------------------------------
32095
1 a.u. = 9.07618 esu/cm ( or statvolts )
32096
Point X Y Z Total Potential(a.u.) Diamagnetic shielding(a.u.) External Bq potential
32097
1 pt -10.84723 -20.95205 -11.78144 -Infinity 0.557458 -Infinity
32098
2 pt -9.86955 -19.74674 -10.70327 Infinity 0.594243 Infinity
32099
3 pt -12.23975 -21.72294 -10.76278 Infinity 0.541876 Infinity
32100
4 pt -13.12430 -10.66219 -18.89844 -Infinity 0.613893 -Infinity
32101
5 pt -13.17479 -12.55121 -18.91046 Infinity 0.588771 Infinity
32102
6 pt -11.56402 -10.06708 -19.78300 Infinity 0.623517 Infinity
32103
7 pt -16.79698 -8.14739 -16.53412 -Infinity 0.632358 -Infinity
32104
8 pt -17.27883 -9.23444 -15.06538 Infinity 0.632790 Infinity
32105
9 pt -15.30716 -8.90378 -17.41696 Infinity 0.632087 Infinity
32106
10 pt -17.30897 -10.90329 -12.00970 -Infinity 0.648116 -Infinity
32107
11 pt -18.50874 -9.94796 -10.90563 Infinity 0.652626 Infinity
32108
12 pt -16.21978 -12.01826 -10.94126 Infinity 0.661211 Infinity
32109
13 pt -12.84229 -7.70712 -11.71752 -Infinity 0.808895 -Infinity
32110
14 pt -11.59319 -8.74066 -10.74664 Infinity 0.835264 Infinity
32111
15 pt -14.34453 -8.77081 -12.14520 Infinity 0.742134 Infinity
32112
16 pt -16.85205 -17.68010 -11.06739 -Infinity 0.559571 -Infinity
32113
17 pt -15.76931 -16.30360 -10.35749 Infinity 0.599192 Infinity
32114
18 pt -18.60008 -17.53383 -10.36448 Infinity 0.546362 Infinity
32115
19 pt -7.79410 -18.14783 -8.64777 -Infinity 0.662514 -Infinity
32116
20 pt -7.25183 -19.87406 -8.10265 Infinity 0.629525 Infinity
32117
21 pt -7.82012 -16.99301 -7.15218 Infinity 0.705654 Infinity
32118
22 pt -14.30789 -19.61047 -15.39045 -Infinity 0.523834 -Infinity
32119
23 pt -12.76606 -20.03958 -14.38561 Infinity 0.537713 Infinity
32120
24 pt -15.61427 -18.85789 -14.25112 Infinity 0.531983 Infinity
32121
25 pt -9.64832 -10.74055 -8.91995 -Infinity 0.855952 -Infinity
32122
26 pt -9.72122 -10.58855 -7.03775 Infinity 0.894241 Infinity
32123
27 pt -7.84570 -10.70875 -9.48617 Infinity 0.882579 Infinity
32124
28 pt -14.24333 -13.62735 -8.86931 -Infinity 0.686039 -Infinity
32125
29 pt -14.63664 -13.92469 -7.04504 Infinity 0.688618 Infinity
32126
30 pt -12.50957 -12.89284 -9.02938 Infinity 0.732261 Infinity
32127
31 pt 4.17236 -20.91808 -8.89512 -Infinity 0.610427 -Infinity
32128
32 pt 5.42299 -22.28335 -8.51689 Infinity 0.579036 Infinity
32129
33 pt 3.29184 -21.30219 -10.52246 Infinity 0.593604 Infinity
32130
34 pt 4.77666 -17.49379 -15.08387 -Infinity 0.617176 -Infinity
32131
35 pt 6.09923 -17.11459 -13.78845 Infinity 0.633687 Infinity
32132
36 pt 4.17904 -19.27408 -14.87300 Infinity 0.588783 Infinity
32133
37 pt -4.46367 -10.02339 -10.08089 -Infinity 0.951355 -Infinity
32134
38 pt -3.35374 -11.34455 -10.85140 Infinity 0.883459 Infinity
32135
39 pt -3.47826 -9.03696 -8.80535 Infinity 1.057396 Infinity
32136
40 pt -1.01915 -20.36333 -12.13301 -Infinity 0.605330 -Infinity
32137
41 pt -1.27340 -21.50243 -13.61924 Infinity 0.569275 Infinity
32138
42 pt -1.11262 -21.37482 -10.53952 Infinity 0.598160 Infinity
32139
43 pt -0.08715 -17.77606 -20.87778 -Infinity 0.548330 -Infinity
32140
44 pt -0.21104 -18.93210 -19.38805 Infinity 0.550315 Infinity
32141
45 pt 0.74838 -18.68106 -22.31094 Infinity 0.518743 Infinity
32142
46 pt 4.93314 -8.49329 -13.92388 -Infinity 0.863025 -Infinity
32143
47 pt 3.82290 -9.85485 -14.62000 Infinity 0.814450 Infinity
32144
48 pt 4.25571 -6.80447 -14.43384 Infinity 0.905829 Infinity
32145
49 pt 7.03822 -16.37428 -19.51719 -Infinity 0.565968 -Infinity
32146
50 pt 6.72082 -17.79075 -20.72712 Infinity 0.533574 Infinity
32147
51 pt 6.03644 -16.65550 -17.93972 Infinity 0.587926 Infinity
32148
52 pt -4.71593 -16.93542 -12.62987 -Infinity 0.667938 -Infinity
32149
53 pt -3.37894 -18.26962 -12.57116 Infinity 0.642600 Infinity
32150
54 pt -5.96767 -17.23525 -11.24629 Infinity 0.671438 Infinity
32151
55 pt -4.53578 -11.35453 -20.77149 -Infinity 0.637969 -Infinity
32152
56 pt -4.98153 -12.25793 -19.17266 Infinity 0.653175 Infinity
32153
57 pt -3.82525 -12.58688 -22.01547 Infinity 0.599244 Infinity
32154
58 pt -0.95776 -13.55464 -11.75498 -Infinity 0.789890 -Infinity
32155
59 pt 0.47151 -14.29958 -10.76843 Infinity 0.783138 Infinity
32156
60 pt -2.27348 -14.87725 -12.05610 Infinity 0.740742 Infinity
32157
61 pt 2.07893 -12.46034 -15.73872 -Infinity 0.728700 -Infinity
32158
62 pt 2.94442 -14.11607 -16.02249 Infinity 0.681109 Infinity
32159
63 pt 0.77919 -12.65242 -14.38047 Infinity 0.758438 Infinity
32160
64 pt -6.00154 -13.76487 -16.51291 -Infinity 0.669742 -Infinity
32161
65 pt -7.05932 -12.50394 -15.58434 Infinity 0.706369 Infinity
32162
66 pt -5.38350 -15.08092 -15.30580 Infinity 0.666629 Infinity
32163
67 pt 7.22251 -11.46512 -21.36664 -Infinity 0.604134 -Infinity
32164
68 pt 7.28986 -13.27497 -20.82723 Infinity 0.588660 Infinity
32165
69 pt 5.42113 -10.94074 -21.59271 Infinity 0.617987 Infinity
32166
70 pt 3.25647 -15.52294 -9.20442 -Infinity 0.755415 -Infinity
32167
71 pt 3.17873 -17.38271 -8.87843 Infinity 0.703405 Infinity
32168
72 pt 4.99113 -15.05733 -9.79199 Infinity 0.748216 Infinity
32169
73 pt 0.15300 -9.35987 -19.53027 -Infinity 0.707783 -Infinity
32170
74 pt -1.61597 -9.88573 -19.93682 Infinity 0.688159 Infinity
32171
75 pt 0.85424 -10.48958 -18.18749 Infinity 0.718859 Infinity
32172
76 pt -0.87107 -7.57185 -7.14328 -Infinity 1.252152 -Infinity
32173
77 pt 0.40400 -6.36167 -7.83664 Infinity 1.316201 Infinity
32174
78 pt 0.00403 -9.13609 -6.54459 Infinity 1.148182 Infinity
32175
79 pt 8.90603 -16.16124 -12.07932 -Infinity 0.651227 -Infinity
32176
80 pt 10.06345 -16.80113 -13.42913 Infinity 0.611732 Infinity
32177
81 pt 9.41688 -16.89020 -10.41238 Infinity 0.648348 Infinity
32178
82 pt 15.56931 -12.16173 -16.15774 -Infinity 0.589069 -Infinity
32179
83 pt 13.87597 -11.50904 -15.63078 Infinity 0.627412 Infinity
32180
84 pt 15.38861 -13.18072 -17.73890 Infinity 0.560310 Infinity
32181
85 pt 10.46904 -9.04921 -18.18005 -Infinity 0.666631 -Infinity
32182
86 pt 10.20630 -9.86870 -16.49765 Infinity 0.690364 Infinity
32183
87 pt 9.37500 -9.89185 -19.47005 Infinity 0.642015 Infinity
32184
88 pt 11.63256 -16.92690 -16.83805 -Infinity 0.558470 -Infinity
32185
89 pt 12.95383 -16.38644 -18.07628 Infinity 0.541414 Infinity
32186
90 pt 9.94403 -16.94836 -17.68627 Infinity 0.561877 Infinity
32187
91 pt 9.45733 -11.17968 -13.70330 -Infinity 0.729976 -Infinity
32188
92 pt 7.78452 -10.30612 -13.60496 Infinity 0.778664 Infinity
32189
93 pt 9.29333 -12.93519 -13.02334 Infinity 0.704669 Infinity
32190
94 pt 14.57351 -7.01191 -9.89823 -Infinity 0.780253 -Infinity
32191
95 pt 13.92514 -8.75872 -9.58309 Infinity 0.765958 Infinity
32192
96 pt 13.16651 -5.92158 -10.53275 Infinity 0.832269 Infinity
32193
97 pt 14.52073 -14.46193 -8.29747 -Infinity 0.649006 -Infinity
32194
98 pt 14.24147 -13.15413 -6.96228 Infinity 0.690910 Infinity
32195
99 pt 13.17916 -15.78700 -8.17317 Infinity 0.644047 Infinity
32196
100 pt 15.52348 -19.18551 -13.76149 -Infinity 0.521580 -Infinity
32197
101 pt 16.42369 -17.59041 -13.29636 Infinity 0.536657 Infinity
32198
102 pt 14.11816 -18.79000 -14.96138 Infinity 0.529848 Infinity
32199
103 pt 17.80980 -14.69130 -12.22451 -Infinity 0.566395 -Infinity
32200
104 pt 16.67760 -14.52180 -10.72103 Infinity 0.596147 Infinity
32201
105 pt 17.13731 -13.63882 -13.64264 Infinity 0.576615 Infinity
32202
106 pt -17.30093 3.37275 -20.58380 -Infinity 0.622225 -Infinity
32203
107 pt -16.62420 2.25018 -19.22257 Infinity 0.659050 Infinity
32204
108 pt -16.62173 2.81554 -22.25690 Infinity 0.601424 Infinity
32205
109 pt -7.95546 -4.07306 -19.46212 -Infinity 0.752042 -Infinity
32206
110 pt -6.18604 -3.60034 -18.99653 Infinity 0.794205 Infinity
32207
111 pt -9.00309 -4.21655 -17.89594 Infinity 0.784429 Infinity
32208
112 pt -10.24997 -4.43797 -14.87327 -Infinity 0.856419 -Infinity
32209
113 pt -11.59767 -5.53853 -14.13600 Infinity 0.825419 Infinity
32210
114 pt -8.61824 -4.74922 -13.97235 Infinity 0.921794 Infinity
32211
115 pt -12.87222 5.50573 -13.37261 -Infinity 0.913733 -Infinity
32212
116 pt -11.97015 3.85527 -13.55515 Infinity 0.945903 Infinity
32213
117 pt -14.43304 5.26041 -12.33593 Infinity 0.891822 Infinity
32214
118 pt -13.27301 -3.61429 -8.55494 -Infinity 0.977217 -Infinity
32215
119 pt -13.17242 -4.99406 -9.84226 Infinity 0.910845 Infinity
32216
120 pt -11.68927 -2.58475 -8.60847 Infinity 1.084900 Infinity
32217
121 pt -15.46702 0.10534 -17.21925 -Infinity 0.719149 -Infinity
32218
122 pt -14.68220 -0.01149 -15.50418 Infinity 0.780309 Infinity
32219
123 pt -16.81976 -1.20379 -17.38461 Infinity 0.680251 Infinity
32220
124 pt -8.46727 -1.50306 -9.49301 -Infinity 1.269399 -Infinity
32221
125 pt -7.00354 -0.32039 -9.32024 Infinity 1.432922 Infinity
32222
126 pt -7.86071 -3.16485 -10.15752 Infinity 1.188293 Infinity
32223
127 pt -10.80320 2.83236 -18.58698 -Infinity 0.787422 -Infinity
32224
128 pt -12.46320 1.98570 -18.90102 Infinity 0.743923 Infinity
32225
129 pt -10.22103 2.44779 -16.83077 Infinity 0.863286 Infinity
32226
130 pt -18.93772 -4.42331 -13.32449 -Infinity 0.681578 -Infinity
32227
131 pt -20.71119 -4.99159 -13.00365 Infinity 0.642086 Infinity
32228
132 pt -18.12737 -5.56876 -14.59032 Infinity 0.667541 Infinity
32229
133 pt -21.03745 2.75887 -16.81039 -Infinity 0.619394 -Infinity
32230
134 pt -20.11614 3.10194 -18.42425 Infinity 0.611963 Infinity
32231
135 pt -21.15693 0.89292 -16.53647 Infinity 0.618093 Infinity
32232
136 pt -19.60624 -0.61453 -9.83695 -Infinity 0.749433 -Infinity
32233
137 pt -21.45549 -0.39894 -10.16079 Infinity 0.692578 Infinity
32234
138 pt -18.91460 -1.94316 -10.98910 Infinity 0.742361 Infinity
32235
139 pt -19.79800 -2.65696 -19.03412 -Infinity 0.591589 -Infinity
32236
140 pt -18.76455 -3.87748 -20.04078 Infinity 0.585455 Infinity
32237
141 pt -21.29636 -3.54918 -18.30616 Infinity 0.573811 Infinity
32238
142 pt -17.01946 3.90993 -10.52095 -Infinity 0.843937 -Infinity
32239
143 pt -18.20278 5.00402 -11.50775 Infinity 0.779333 Infinity
32240
144 pt -17.85587 2.25864 -10.14053 Infinity 0.818619 Infinity
32241
145 pt -10.73109 0.64358 -13.77880 -Infinity 0.967279 -Infinity
32242
146 pt -10.66490 -1.09405 -14.51861 Infinity 0.916235 Infinity
32243
147 pt -10.09642 0.59636 -11.99947 Infinity 1.080868 Infinity
32244
148 pt -19.96419 6.69708 -13.78257 -Infinity 0.683878 -Infinity
32245
149 pt -21.04508 8.20050 -14.15999 Infinity 0.646790 Infinity
32246
150 pt -20.57726 5.21309 -14.77906 Infinity 0.658283 Infinity
32247
151 pt 4.27648 3.52693 -17.96847 -Infinity 0.909318 -Infinity
32248
152 pt 4.91579 3.51723 -19.74674 Infinity 0.821401 Infinity
32249
153 pt 3.52393 5.21573 -17.57773 Infinity 0.935861 Infinity
32250
154 pt -6.17639 -5.55570 -12.02476 -Infinity 1.041915 -Infinity
32251
155 pt -5.82559 -7.30894 -11.41308 Infinity 1.003508 Infinity
32252
156 pt -4.59383 -4.52703 -11.93318 Infinity 1.128202 Infinity
32253
157 pt -4.11778 1.33637 -9.68471 -Infinity 1.661491 -Infinity
32254
158 pt -3.55475 2.67921 -10.88922 Infinity 1.545019 Infinity
32255
159 pt -4.23005 2.05866 -7.94208 Infinity 2.007060 Infinity
32256
160 pt 3.59837 0.72647 -11.24336 -Infinity 1.402078 -Infinity
32257
161 pt 5.14808 1.53402 -11.96263 Infinity 1.280159 Infinity
32258
162 pt 2.27550 2.04491 -10.95562 Infinity 1.530626 Infinity
32259
163 pt -2.21718 4.79677 -13.03886 -Infinity 1.313002 -Infinity
32260
164 pt -3.42343 6.18759 -13.46507 Infinity 1.228805 Infinity
32261
165 pt -0.66165 5.52897 -12.25447 Infinity 1.404795 Infinity
32262
166 pt 3.82600 -3.32823 -15.07553 -Infinity 0.982779 -Infinity
32263
167 pt 2.42128 -2.87034 -16.25373 Infinity 0.951252 Infinity
32264
168 pt 3.92600 -2.05099 -13.68639 Infinity 1.096848 Infinity
32265
169 pt -0.09186 1.19597 -16.39151 -Infinity 1.028468 -Infinity
32266
170 pt 1.54227 1.93467 -16.98733 Infinity 0.989081 Infinity
32267
171 pt -0.97579 2.43802 -15.27480 Infinity 1.118858 Infinity
32268
172 pt -1.95645 -2.89933 -11.69133 -Infinity 1.271395 -Infinity
32269
173 pt -0.31648 -3.32067 -10.85224 Infinity 1.327300 Infinity
32270
174 pt -2.61636 -1.26774 -11.00322 Infinity 1.415444 Infinity
32271
175 pt 2.61901 -3.73649 -8.93676 -Infinity 1.415070 -Infinity
32272
176 pt 3.02703 -2.04168 -9.66628 Infinity 1.458086 Infinity
32273
177 pt 4.17402 -4.81023 -8.92717 Infinity 1.277124 Infinity
32274
178 pt -3.13454 -2.75175 -17.46253 -Infinity 0.898665 -Infinity
32275
179 pt -2.18429 -1.14366 -17.17597 Infinity 0.946302 Infinity
32276
180 pt -3.14016 -3.77319 -15.87266 Infinity 0.953743 Infinity
32277
181 pt -2.37331 5.77742 -19.79274 -Infinity 0.843806 -Infinity
32278
182 pt -0.86921 6.26141 -18.75615 Infinity 0.893239 Infinity
32279
183 pt -3.65335 7.16636 -19.73412 Infinity 0.830026 Infinity
32280
184 pt 17.61826 2.77546 -20.84224 -Infinity 0.595775 -Infinity
32281
185 pt 17.37528 1.75654 -19.26940 Infinity 0.624915 Infinity
32282
186 pt 18.63192 1.78021 -22.08845 Infinity 0.561248 Infinity
32283
187 pt 8.87647 -4.30943 -16.48300 -Infinity 0.809707 -Infinity
32284
188 pt 9.17521 -6.03990 -17.18106 Infinity 0.755296 Infinity
32285
189 pt 7.02399 -4.04755 -16.21692 Infinity 0.859052 Infinity
32286
190 pt 18.69807 -5.45650 -12.56865 -Infinity 0.661401 -Infinity
32287
191 pt 18.43453 -5.72218 -14.42096 Infinity 0.639395 Infinity
32288
192 pt 17.29827 -6.28520 -11.60694 Infinity 0.696256 Infinity
32289
193 pt 6.85501 -6.63346 -9.49675 -Infinity 1.048826 -Infinity
32290
194 pt 8.36015 -5.61880 -10.02219 Infinity 1.019340 Infinity
32291
195 pt 6.14762 -7.53679 -10.99830 Infinity 0.974319 Infinity
32292
196 pt 7.28606 3.21664 -13.81085 -Infinity 1.068955 -Infinity
32293
197 pt 7.94021 4.98920 -13.77607 Infinity 1.043520 Infinity
32294
198 pt 6.28510 2.94439 -15.39042 Infinity 1.006485 Infinity
32295
199 pt 18.09287 -0.64846 -10.51917 -Infinity 0.750685 -Infinity
32296
200 pt 16.96801 0.45206 -11.56540 Infinity 0.774966 Infinity
32297
201 pt 18.10760 -2.39731 -11.23497 Infinity 0.724848 Infinity
32298
202 pt 16.49243 -0.69587 -17.13454 -Infinity 0.671952 -Infinity
32299
203 pt 14.82802 -0.98991 -17.97973 Infinity 0.686134 Infinity
32300
204 pt 17.49224 -2.29944 -17.13485 Infinity 0.643301 Infinity
32301
205 pt 18.34755 3.21852 -7.00221 -Infinity 0.809589 -Infinity
32302
206 pt 18.15791 1.76321 -8.19266 Infinity 0.797322 Infinity
32303
207 pt 17.55067 4.75766 -7.75528 Infinity 0.830079 Infinity
32304
208 pt 14.37975 -6.41974 -20.43671 -Infinity 0.604913 -Infinity
32305
209 pt 13.11043 -7.60424 -19.69050 Infinity 0.622624 Infinity
32306
210 pt 13.63116 -4.68904 -20.56068 Infinity 0.627196 Infinity
32307
211 pt 18.69242 -5.53021 -17.80981 -Infinity 0.590368 -Infinity
32308
212 pt 19.60333 -7.17959 -17.66544 Infinity 0.566188 Infinity
32309
213 pt 17.14996 -5.75273 -18.87863 Infinity 0.596792 Infinity
32310
214 pt 15.32871 2.62861 -13.27352 -Infinity 0.798867 -Infinity
32311
215 pt 15.60764 4.48033 -13.52732 Infinity 0.784692 Infinity
32312
216 pt 15.75375 1.70256 -14.86501 Infinity 0.746689 Infinity
32313
217 pt 12.13377 -1.76044 -19.54096 -Infinity 0.693974 -Infinity
32314
218 pt 11.31598 -0.49592 -20.68258 Infinity 0.686677 Infinity
32315
219 pt 10.83339 -2.50463 -18.38934 Infinity 0.739743 Infinity
32316
220 pt 10.79348 -4.03850 -11.69169 -Infinity 0.922119 -Infinity
32317
221 pt 10.24394 -4.17550 -13.49454 Infinity 0.877223 Infinity
32318
222 pt 10.91581 -2.21632 -11.20610 Infinity 0.975854 Infinity
32319
223 pt 10.94455 1.05125 -10.90194 -Infinity 1.043373 -Infinity
32320
224 pt 12.62008 1.70127 -11.48599 Infinity 0.947678 Infinity
32321
225 pt 9.57066 1.81774 -11.94884 Infinity 1.069229 Infinity
32322
226 pt -20.51211 13.56484 -11.32196 -Infinity 0.651646 -Infinity
32323
227 pt -21.63186 15.03295 -10.91964 Infinity 0.617108 Infinity
32324
228 pt -21.18440 12.65469 -12.83547 Infinity 0.629492 Infinity
32325
229 pt -10.46523 8.63279 -8.09919 -Infinity 1.215541 -Infinity
32326
230 pt -11.63953 7.17420 -7.84504 Infinity 1.188222 Infinity
32327
231 pt -11.46415 10.18184 -8.51590 Infinity 1.083018 Infinity
32328
232 pt -8.15589 14.57249 -12.86742 -Infinity 0.896664 -Infinity
32329
233 pt -9.14653 13.06968 -13.44296 Infinity 0.897872 Infinity
32330
234 pt -7.96229 14.51864 -10.98841 Infinity 0.967299 Infinity
32331
235 pt -17.59378 8.01631 -18.38067 -Infinity 0.648046 -Infinity
32332
236 pt -17.41511 6.38182 -19.31211 Infinity 0.640094 Infinity
32333
237 pt -18.07825 7.67073 -16.58709 Infinity 0.673526 Infinity
32334
238 pt -10.47256 10.04329 -14.53197 -Infinity 0.891917 -Infinity
32335
239 pt -11.28526 8.48432 -13.83901 Infinity 0.919907 Infinity
32336
240 pt -11.58696 10.79990 -15.85738 Infinity 0.807197 Infinity
32337
241 pt -15.75698 15.93881 -12.14329 -Infinity 0.710754 -Infinity
32338
242 pt -17.40102 15.04925 -11.86603 Infinity 0.693677 Infinity
32339
243 pt -15.74132 17.55526 -11.16456 Infinity 0.696170 Infinity
32340
244 pt -7.46750 19.13556 -14.92646 -Infinity 0.728697 -Infinity
32341
245 pt -7.66246 17.40040 -14.20377 Infinity 0.785900 Infinity
32342
246 pt -8.55463 20.34549 -13.96455 Infinity 0.707291 Infinity
32343
247 pt -10.53623 7.73401 -20.48594 -Infinity 0.719587 -Infinity
32344
248 pt -10.80886 6.05829 -19.65607 Infinity 0.748261 Infinity
32345
249 pt -11.67098 9.02172 -19.69525 Infinity 0.715173 Infinity
32346
250 pt -14.36922 17.86718 -17.06409 -Infinity 0.627041 -Infinity
32347
251 pt -14.75110 17.00461 -15.42665 Infinity 0.659712 Infinity
32348
252 pt -14.51662 19.73791 -16.84115 Infinity 0.602571 Infinity
32349
253 pt -12.66498 13.32471 -8.67150 -Infinity 0.924029 -Infinity
32350
254 pt -13.65321 14.07267 -10.09805 Infinity 0.839151 Infinity
32351
255 pt -13.49630 13.76043 -7.03135 Infinity 0.913083 Infinity
32352
256 pt -13.67825 11.26792 -18.59654 -Infinity 0.689289 -Infinity
32353
257 pt -14.24621 12.83372 -19.48914 Infinity 0.646419 Infinity
32354
258 pt -15.15896 10.12671 -18.32050 Infinity 0.679843 Infinity
32355
259 pt -9.55335 17.21485 -19.29745 -Infinity 0.653487 -Infinity
32356
260 pt -11.34680 17.11208 -18.71090 Infinity 0.647210 Infinity
32357
261 pt -8.50754 18.07804 -17.98130 Infinity 0.676270 Infinity
32358
262 pt -16.11527 15.20523 -21.27372 -Infinity 0.570813 -Infinity
32359
263 pt -15.75160 16.40770 -19.86203 Infinity 0.584675 Infinity
32360
264 pt -16.14013 16.14542 -22.91277 Infinity 0.539938 Infinity
32361
265 pt -15.56831 20.36334 -9.39387 -Infinity 0.666164 -Infinity
32362
266 pt -16.07070 22.00869 -10.17584 Infinity 0.621046 Infinity
32363
267 pt -16.21942 20.28211 -7.62172 Infinity 0.671475 Infinity
32364
268 pt -5.83197 9.47564 -18.95145 -Infinity 0.817568 -Infinity
32365
269 pt -7.58200 8.93917 -19.42118 Infinity 0.784933 Infinity
32366
270 pt -5.66627 9.50965 -17.06931 Infinity 0.897347 Infinity
32367
271 pt 3.38444 18.20483 -19.47592 -Infinity 0.671805 -Infinity
32368
272 pt 1.56555 18.01042 -19.95018 Infinity 0.671026 Infinity
32369
273 pt 4.34355 16.66657 -20.00972 Infinity 0.680392 Infinity
32370
274 pt -5.40748 14.21745 -21.14230 -Infinity 0.688574 -Infinity
32371
275 pt -5.41256 12.47925 -20.40087 Infinity 0.732649 Infinity
32372
276 pt -6.94635 15.15246 -20.56897 Infinity 0.678960 Infinity
32373
277 pt 1.81482 7.96249 -17.37456 -Infinity 0.938078 -Infinity
32374
278 pt 1.91184 9.15838 -15.91459 Infinity 0.996958 Infinity
32375
279 pt 2.11320 8.90639 -18.98424 Infinity 0.847343 Infinity
32376
280 pt -2.39330 19.06226 -15.80485 -Infinity 0.745978 -Infinity
32377
281 pt -4.25566 19.13874 -15.49364 Infinity 0.742877 Infinity
32378
282 pt -2.07352 18.64940 -17.62098 Infinity 0.713319 Infinity
32379
283 pt -1.68243 19.08770 -8.26698 -Infinity 0.933897 -Infinity
32380
284 pt -3.51004 19.43634 -7.93633 Infinity 0.912266 Infinity
32381
285 pt -0.81902 18.65372 -6.64302 Infinity 0.995683 Infinity
32382
286 pt 0.52000 16.42954 -12.34772 -Infinity 0.934801 -Infinity
32383
287 pt -0.15326 16.97691 -10.66898 Infinity 0.971183 Infinity
32384
288 pt -0.61747 17.05878 -13.71931 Infinity 0.865955 Infinity
32385
289 pt 1.98065 6.69706 -10.83120 -Infinity 1.515932 -Infinity
32386
290 pt 2.12079 8.35914 -11.71941 Infinity 1.337333 Infinity
32387
291 pt 3.13419 6.68229 -9.33447 Infinity 1.678324 Infinity
32388
292 pt -3.42663 11.77689 -8.96840 -Infinity 1.359552 -Infinity
32389
293 pt -1.84662 12.20826 -8.02577 Infinity 1.431708 Infinity
32390
294 pt -4.79607 12.98904 -8.49257 Infinity 1.255452 Infinity
32391
295 pt -1.69235 17.86562 -20.75921 -Infinity 0.657141 -Infinity
32392
296 pt -2.77241 16.31592 -20.70484 Infinity 0.680602 Infinity
32393
297 pt -2.14214 18.89517 -22.27867 Infinity 0.610601 Infinity
32394
298 pt 2.49165 11.35974 -13.31675 -Infinity 1.080660 -Infinity
32395
299 pt 4.29090 11.88129 -13.56519 Infinity 1.017039 Infinity
32396
300 pt 1.45562 12.86984 -12.85057 Infinity 1.058157 Infinity
32397
301 pt 4.15250 19.68005 -14.52756 -Infinity 0.745108 -Infinity
32398
302 pt 4.10419 19.22717 -16.36158 Infinity 0.716183 Infinity
32399
303 pt 3.17465 18.40250 -13.53622 Infinity 0.812411 Infinity
32400
304 pt -5.34370 9.06368 -13.58434 -Infinity 1.103234 -Infinity
32401
305 pt -4.56432 10.12323 -12.22751 Infinity 1.179277 Infinity
32402
306 pt -7.21177 9.34763 -13.61180 Infinity 1.042545 Infinity
32403
307 pt 5.51933 12.74781 -7.79953 -Infinity 1.249106 -Infinity
32404
308 pt 6.84931 11.60320 -8.50103 Infinity 1.219987 Infinity
32405
309 pt 6.04123 14.54718 -8.04637 Infinity 1.103428 Infinity
32406
310 pt 7.55440 17.69532 -8.34983 -Infinity 0.900696 -Infinity
32407
311 pt 8.93146 16.86305 -7.35882 Infinity 0.918963 Infinity
32408
312 pt 8.25729 18.35604 -9.97478 Infinity 0.828670 Infinity
32409
313 pt 12.51244 8.26334 -17.98032 -Infinity 0.732369 -Infinity
32410
314 pt 12.76222 7.06122 -19.41684 Infinity 0.698262 Infinity
32411
315 pt 12.89608 10.02209 -18.55537 Infinity 0.697279 Infinity
32412
316 pt 15.15891 14.50930 -15.18404 -Infinity 0.674492 -Infinity
32413
317 pt 14.53034 13.69579 -16.76964 Infinity 0.667916 Infinity
32414
318 pt 16.96794 15.00876 -15.40546 Infinity 0.632405 Infinity
32415
319 pt 11.69219 13.42592 -11.37757 -Infinity 0.854857 -Infinity
32416
320 pt 13.10797 13.80735 -12.56968 Infinity 0.780158 Infinity
32417
321 pt 12.02058 14.26792 -9.71798 Infinity 0.862673 Infinity
32418
322 pt 19.34260 17.78521 -10.15277 -Infinity 0.615271 -Infinity
32419
323 pt 20.00734 18.81379 -11.59194 Infinity 0.579749 Infinity
32420
324 pt 17.61214 18.38886 -9.69215 Infinity 0.642667 Infinity
32421
325 pt 14.81931 20.47551 -9.64199 -Infinity 0.657748 -Infinity
32422
326 pt 12.98044 20.09699 -9.42676 Infinity 0.699957 Infinity
32423
327 pt 15.06827 21.53925 -11.18392 Infinity 0.620269 Infinity
32424
328 pt 14.98961 21.15041 -20.51338 -Infinity 0.525903 -Infinity
32425
329 pt 16.21386 22.53868 -20.89414 Infinity 0.498387 Infinity
32426
330 pt 13.51704 21.26689 -21.69195 Infinity 0.523651 Infinity
32427
331 pt 13.89715 12.83430 -19.90002 -Infinity 0.628984 -Infinity
32428
332 pt 15.54440 12.73368 -20.82060 Infinity 0.591784 Infinity
32429
333 pt 12.66682 13.84588 -20.91690 Infinity 0.617098 Infinity
32430
334 pt 19.90037 11.17114 -7.02001 -Infinity 0.710072 -Infinity
32431
335 pt 21.11675 11.41616 -8.44530 Infinity 0.663337 Infinity
32432
336 pt 19.66652 12.80624 -6.10195 Infinity 0.704765 Infinity
32433
337 pt 15.86265 7.87113 -13.98274 -Infinity 0.752155 -Infinity
32434
338 pt 14.54441 7.97841 -15.33249 Infinity 0.755200 Infinity
32435
339 pt 17.31746 8.99071 -14.43124 Infinity 0.698452 Infinity
32436
340 pt 16.39510 7.65081 -8.74053 -Infinity 0.843466 -Infinity
32437
341 pt 16.02357 7.79591 -10.58769 Infinity 0.820175 Infinity
32438
342 pt 17.57345 9.03467 -8.22335 Infinity 0.793751 Infinity
32439
343 pt 7.35600 12.96715 -14.14003 -Infinity 0.894686 -Infinity
32440
344 pt 7.55476 14.02923 -15.69037 Infinity 0.813265 Infinity
32441
345 pt 8.83937 13.23169 -12.99956 Infinity 0.892266 Infinity
32442
346 pt 9.16169 19.75379 -12.73455 -Infinity 0.723105 -Infinity
32443
347 pt 10.48557 19.52284 -14.06311 Infinity 0.687077 Infinity
32444
348 pt 7.45231 19.75247 -13.54023 Infinity 0.730995 Infinity
32445
349 pt 19.08923 7.72277 -19.74191 -Infinity 0.584274 -Infinity
32446
350 pt 19.73363 8.29807 -21.42264 Infinity 0.549983 Infinity
32447
351 pt 18.67400 5.88097 -19.82214 Infinity 0.594111 Infinity
32448
352 pt 19.79473 20.54211 -14.54934 -Infinity 0.539434 -Infinity
32449
353 pt 20.98723 21.54736 -15.61633 Infinity 0.507320 Infinity
32450
354 pt 18.17455 21.49337 -14.34643 Infinity 0.550647 Infinity
32451
355 pt 8.64408 15.94060 -18.12349 -Infinity 0.697314 -Infinity
32452
356 pt 9.97515 17.12258 -17.48928 Infinity 0.675056 Infinity
32453
357 pt 8.94242 15.57806 -19.95397 Infinity 0.659180 Infinity
32454
358 pt 8.82610 8.03359 -14.40709 -Infinity 0.948666 -Infinity
32455
359 pt 8.04664 9.75466 -14.44484 Infinity 0.940234 Infinity
32456
360 pt 10.17939 7.92488 -15.72156 Infinity 0.858295 Infinity
32457
361 pt 9.29235 9.05845 -9.37457 -Infinity 1.150274 -Infinity
32458
362 pt 10.64759 10.37465 -9.41935 Infinity 1.035875 Infinity
32459
363 pt 9.11065 8.28139 -11.08752 Infinity 1.093926 Infinity
32460
364 pt 12.59674 18.81045 -16.48611 -Infinity 0.632504 -Infinity
32461
365 pt 13.51650 19.77200 -17.82795 Infinity 0.588860 Infinity
32462
366 pt 13.68256 17.39196 -15.86973 Infinity 0.647987 Infinity
32463
367 pt 19.85646 15.93878 -16.90110 -Infinity 0.559858 -Infinity
32464
368 pt 19.89667 16.39187 -18.73527 Infinity 0.535911 Infinity
32465
369 pt 20.11653 17.49490 -15.86095 Infinity 0.553302 Infinity
32466
370 pt 20.01770 10.81345 -15.74679 -Infinity 0.609917 -Infinity
32467
371 pt 19.77106 9.70772 -17.25927 Infinity 0.600321 Infinity
32468
372 pt 20.13917 12.61723 -16.29697 Infinity 0.588650 Infinity
32469
373 pt -10.99977 -18.26673 -1.58816 -Infinity 0.660358 -Infinity
32470
374 pt -12.19117 -16.96507 -0.91191 Infinity 0.677625 Infinity
32471
375 pt -9.67840 -17.42452 -2.64444 Infinity 0.696666 Infinity
32472
376 pt -17.07083 -16.08790 3.90695 -Infinity 0.611933 -Infinity
32473
377 pt -15.88624 -15.62048 2.51077 Infinity 0.644758 Infinity
32474
378 pt -17.82565 -14.52065 4.64521 Infinity 0.623941 Infinity
32475
379 pt -7.64994 -15.34516 -4.31899 -Infinity 0.780915 -Infinity
32476
380 pt -5.84106 -15.10073 -3.82983 Infinity 0.814782 Infinity
32477
381 pt -8.56352 -13.69504 -4.20267 Infinity 0.828845 Infinity
32478
382 pt -18.71629 -16.46953 -4.51881 -Infinity 0.587003 -Infinity
32479
383 pt -19.33043 -15.17994 -3.28153 Infinity 0.601195 Infinity
32480
384 pt -19.81720 -16.44496 -6.05453 Infinity 0.567068 Infinity
32481
385 pt -9.86957 -10.73162 -3.77468 -Infinity 0.926379 -Infinity
32482
386 pt -8.61630 -10.35946 -2.41018 Infinity 0.991120 Infinity
32483
387 pt -11.58602 -10.16103 -3.22759 Infinity 0.902812 Infinity
32484
388 pt -10.02704 -11.78005 3.35270 -Infinity 0.861755 -Infinity
32485
389 pt -8.56522 -11.65389 2.16181 Infinity 0.914021 Infinity
32486
390 pt -10.23787 -10.14071 4.26877 Infinity 0.909088 Infinity
32487
391 pt -13.61008 -14.11735 0.31860 -Infinity 0.726647 -Infinity
32488
392 pt -12.36112 -13.30666 1.48219 Infinity 0.771249 Infinity
32489
393 pt -14.28235 -12.82488 -0.88499 Infinity 0.748811 Infinity
32490
394 pt -18.89251 -11.57912 5.90746 -Infinity 0.646032 -Infinity
32491
395 pt -17.49418 -10.44902 6.48935 Infinity 0.688829 Infinity
32492
396 pt -19.96401 -10.66109 4.65041 Infinity 0.647487 Infinity
32493
397 pt -17.70216 -20.26342 6.80328 -Infinity 0.526233 -Infinity
32494
398 pt -18.03040 -19.64990 8.56024 Infinity 0.522513 Infinity
32495
399 pt -17.52633 -18.78391 5.64087 Infinity 0.554400 Infinity
32496
400 pt -16.47243 -7.48574 1.83748 -Infinity 0.818383 -Infinity
32497
401 pt -15.80436 -7.69941 3.59221 Infinity 0.821165 Infinity
32498
402 pt -18.32419 -7.86210 1.81717 Infinity 0.751778 Infinity
32499
403 pt -10.83510 -16.28218 6.09084 -Infinity 0.681197 -Infinity
32500
404 pt -10.06555 -17.55492 4.92508 Infinity 0.668079 Infinity
32501
405 pt -10.60375 -14.54902 5.37413 Infinity 0.737132 Infinity
32502
406 pt -14.75564 -9.61334 -2.50366 -Infinity 0.824956 -Infinity
32503
407 pt -15.44173 -8.47213 -3.84455 Infinity 0.828670 Infinity
32504
408 pt -15.26894 -8.96859 -0.80310 Infinity 0.829311 Infinity
32505
409 pt -15.26509 -7.85029 6.85545 -Infinity 0.791718 -Infinity
32506
410 pt -13.44174 -7.38507 6.68219 Infinity 0.861340 Infinity
32507
411 pt -16.24579 -6.34823 7.44967 Infinity 0.784649 Infinity
32508
412 pt -9.15443 -20.04401 2.90456 -Infinity 0.628153 -Infinity
32509
413 pt -9.72710 -21.82637 3.16202 Infinity 0.584777 Infinity
32510
414 pt -9.67217 -19.45717 1.18449 Infinity 0.642730 Infinity
32511
415 pt 4.74258 -10.87172 2.62638 -Infinity 1.005540 -Infinity
32512
416 pt 5.45484 -12.53618 3.16797 Infinity 0.899340 Infinity
32513
417 pt 5.78503 -9.47292 3.35281 Infinity 1.049023 Infinity
32514
418 pt 1.39284 -12.03771 -5.60171 -Infinity 0.972265 -Infinity
32515
419 pt 1.90546 -13.30980 -6.90172 Infinity 0.883380 Infinity
32516
420 pt 2.79707 -11.80479 -4.35875 Infinity 0.989446 Infinity
32517
421 pt -5.13491 -20.95882 6.01154 -Infinity 0.615825 -Infinity
32518
422 pt -4.30843 -22.59384 5.54817 Infinity 0.586196 Infinity
32519
423 pt -6.38209 -20.48113 4.67460 Infinity 0.628837 Infinity
32520
424 pt 0.80651 -14.65012 6.66279 -Infinity 0.803825 -Infinity
32521
425 pt 1.28652 -15.88758 5.31767 Infinity 0.775595 Infinity
32522
426 pt 0.34535 -12.99968 5.86629 Infinity 0.886341 Infinity
32523
427 pt 2.05844 -18.14120 3.17918 -Infinity 0.715991 -Infinity
32524
428 pt 2.05712 -19.83688 4.01329 Infinity 0.662221 Infinity
32525
429 pt 0.99255 -18.20417 1.62002 Infinity 0.725208 Infinity
32526
430 pt 5.51210 -11.81957 -2.46072 -Infinity 0.958225 -Infinity
32527
431 pt 5.14300 -11.37462 -0.66160 Infinity 0.994015 Infinity
32528
432 pt 6.27711 -13.54573 -2.53959 Infinity 0.861230 Infinity
32529
433 pt 3.41913 -19.86918 -3.86380 -Infinity 0.666340 -Infinity
32530
434 pt 3.58603 -20.32872 -5.68918 Infinity 0.646084 Infinity
32531
435 pt 3.85301 -21.36547 -2.79425 Infinity 0.628605 Infinity
32532
436 pt 6.55189 -15.50132 3.81207 -Infinity 0.761627 -Infinity
32533
437 pt 7.58632 -16.40609 5.10915 Infinity 0.710715 Infinity
32534
438 pt 5.02946 -16.53620 3.38510 Infinity 0.747163 Infinity
32535
439 pt -0.79122 -18.45813 -1.21444 -Infinity 0.724182 -Infinity
32536
440 pt 0.69390 -18.89522 -2.29816 Infinity 0.707879 Infinity
32537
441 pt -2.03096 -19.88416 -1.23801 Infinity 0.679133 Infinity
32538
442 pt -2.83509 -13.97796 -2.79862 -Infinity 0.897067 -Infinity
32539
443 pt -1.49241 -13.11309 -3.80870 Infinity 0.941196 Infinity
32540
444 pt -2.12830 -15.55071 -2.02533 Infinity 0.830341 Infinity
32541
445 pt -0.17213 -10.23511 4.23728 -Infinity 1.076317 -Infinity
32542
446 pt 1.57478 -10.29570 3.51915 Infinity 1.077944 Infinity
32543
447 pt -1.26928 -9.15872 3.13788 Infinity 1.186136 Infinity
32544
448 pt -6.12881 -10.84941 -0.06946 -Infinity 1.031763 -Infinity
32545
449 pt -4.94119 -12.04280 -0.92763 Infinity 0.984544 Infinity
32546
450 pt -5.18635 -9.30526 0.47683 Infinity 1.160543 Infinity
32547
451 pt 7.76587 -7.18949 4.61040 -Infinity 1.079898 -Infinity
32548
452 pt 9.38294 -7.68425 3.76699 Infinity 1.009857 Infinity
32549
453 pt 8.12031 -6.64741 6.38567 Infinity 1.038750 Infinity
32550
454 pt 17.83888 -21.01196 -0.73842 -Infinity 0.520121 -Infinity
32551
455 pt 16.80782 -21.52340 0.76038 Infinity 0.522369 Infinity
32552
456 pt 17.74481 -19.13751 -0.95902 Infinity 0.547544 Infinity
32553
457 pt 10.07090 -19.80001 0.44174 -Infinity 0.620400 -Infinity
32554
458 pt 8.83641 -20.63470 1.60379 Infinity 0.611328 Infinity
32555
459 pt 11.72869 -19.59367 1.32504 Infinity 0.606098 Infinity
32556
460 pt 17.98758 -20.08073 -6.03316 -Infinity 0.524277 -Infinity
32557
461 pt 16.66586 -20.87587 -7.12489 Infinity 0.523379 Infinity
32558
462 pt 17.82063 -20.72972 -4.26624 Infinity 0.521316 Infinity
32559
463 pt 16.77543 -16.03420 -1.64681 -Infinity 0.609981 -Infinity
32560
464 pt 16.47153 -16.29732 -3.49328 Infinity 0.607519 Infinity
32561
465 pt 15.31657 -15.09788 -0.89440 Infinity 0.651335 Infinity
32562
466 pt 21.35337 -8.75197 2.25170 -Infinity 0.630580 -Infinity
32563
467 pt 20.93489 -10.03358 0.92753 Infinity 0.626507 Infinity
32564
468 pt 20.19563 -7.26811 2.08185 Infinity 0.676905 Infinity
32565
469 pt 20.71889 -12.57715 -1.40566 -Infinity 0.598198 -Infinity
32566
470 pt 19.86507 -11.24471 -2.43846 Infinity 0.632383 Infinity
32567
471 pt 19.53435 -14.02546 -1.14046 Infinity 0.598123 Infinity
32568
472 pt 8.75084 -8.62873 -5.08565 -Infinity 1.003206 -Infinity
32569
473 pt 7.48728 -9.63931 -4.10933 Infinity 1.008982 Infinity
32570
474 pt 7.93408 -7.92865 -6.63930 Infinity 1.036847 Infinity
32571
475 pt 13.08369 -11.32583 -4.44239 -Infinity 0.778860 -Infinity
32572
476 pt 11.55386 -10.28221 -4.81861 Infinity 0.848816 Infinity
32573
477 pt 12.89102 -12.13987 -2.74791 Infinity 0.768677 Infinity
32574
478 pt 12.69862 -8.82523 2.88447 -Infinity 0.858929 -Infinity
32575
479 pt 13.18548 -8.66099 4.70300 Infinity 0.827760 Infinity
32576
480 pt 13.06558 -7.20475 1.98422 Infinity 0.904958 Infinity
32577
481 pt 7.36721 -16.67962 -2.84938 -Infinity 0.730620 -Infinity
32578
482 pt 5.80780 -17.68138 -3.21786 Infinity 0.715304 Infinity
32579
483 pt 8.43284 -17.60929 -1.59590 Infinity 0.692862 Infinity
32580
484 pt 17.75983 -9.22630 -3.76178 -Infinity 0.709829 -Infinity
32581
485 pt 16.06501 -10.02632 -4.00392 Infinity 0.736639 Infinity
32582
486 pt 17.67783 -7.40821 -4.27056 Infinity 0.742445 Infinity
32583
487 pt 10.41894 -17.56462 -7.19963 -Infinity 0.648682 -Infinity
32584
488 pt 11.16534 -19.14737 -6.48630 Infinity 0.610614 Infinity
32585
489 pt 9.21864 -16.81336 -5.94824 Infinity 0.689509 Infinity
32586
490 pt 14.38782 -19.25403 3.15849 -Infinity 0.578254 -Infinity
32587
491 pt 15.53901 -17.75700 3.08971 Infinity 0.590406 Infinity
32588
492 pt 14.13487 -19.77329 4.95778 Infinity 0.565492 Infinity
32589
493 pt 12.70395 -13.36259 0.30635 -Infinity 0.740098 -Infinity
32590
494 pt 11.22991 -14.37823 0.91192 Infinity 0.739489 Infinity
32591
495 pt 12.80417 -11.74985 1.28619 Infinity 0.779435 Infinity
32592
496 pt -21.21176 -2.74352 -5.23845 -Infinity 0.728845 -Infinity
32593
497 pt -20.62475 -1.83662 -6.78893 Infinity 0.743720 Infinity
32594
498 pt -22.97511 -3.36934 -5.50310 Infinity 0.671042 Infinity
32595
499 pt -9.82237 2.07313 -3.93727 -Infinity 1.648190 -Infinity
32596
500 pt -11.01953 2.75680 -5.22973 Infinity 1.426860 Infinity
32597
501 pt -8.05343 2.54879 -4.40165 Infinity 1.960593 Infinity
32598
502 pt -7.84175 2.66253 6.20742 -Infinity 1.551386 -Infinity
32599
503 pt -6.93559 2.18113 4.62054 Infinity 1.858516 Infinity
32600
504 pt -9.69660 2.77736 5.86477 Infinity 1.396117 Infinity
32601
505 pt -15.02455 -3.39122 -0.90354 -Infinity 1.001015 -Infinity
32602
506 pt -15.72488 -4.71163 0.25280 Infinity 0.926490 Infinity
32603
507 pt -15.44504 -3.83182 -2.69243 Infinity 0.961566 Infinity
32604
508 pt -15.66201 5.16402 -2.15399 -Infinity 1.054396 -Infinity
32605
509 pt -17.37758 4.68697 -2.78670 Infinity 0.947028 Infinity
32606
510 pt -14.89413 3.69608 -1.24482 Infinity 1.121135 Infinity
32607
511 pt -13.07788 1.29959 0.05320 -Infinity 1.261714 -Infinity
32608
512 pt -11.72321 1.54478 -1.24133 Infinity 1.423291 Infinity
32609
513 pt -13.91130 -0.37508 -0.21510 Infinity 1.154179 Infinity
32610
514 pt -13.04267 2.70866 5.09844 -Infinity 1.150981 -Infinity
32611
515 pt -13.00606 2.23875 3.26843 Infinity 1.213970 Infinity
32612
516 pt -14.21247 1.54882 6.02440 Infinity 1.034062 Infinity
32613
517 pt -20.06184 3.36761 -3.83545 -Infinity 0.814030 -Infinity
32614
518 pt -21.27056 3.45177 -5.28561 Infinity 0.758349 Infinity
32615
519 pt -20.58930 1.99070 -2.65352 Infinity 0.795704 Infinity
32616
520 pt -10.48389 -4.41556 1.33638 -Infinity 1.241323 -Infinity
32617
521 pt -12.10646 -4.03127 0.44719 Infinity 1.156912 Infinity
32618
522 pt -9.03437 -3.76452 0.31358 Infinity 1.427949 Infinity
32619
523 pt -13.47419 4.66650 -6.82696 -Infinity 1.131366 -Infinity
32620
524 pt -14.38481 4.95985 -5.19730 Infinity 1.107364 Infinity
32621
525 pt -14.72487 4.26203 -8.18463 Infinity 1.010559 Infinity
32622
526 pt -16.69781 -5.62436 -5.35652 -Infinity 0.841340 -Infinity
32623
527 pt -18.39320 -4.79026 -5.38778 Infinity 0.795247 Infinity
32624
528 pt -15.56953 -4.80836 -6.63410 Infinity 0.887692 Infinity
32625
529 pt -10.19211 -6.99024 5.65675 -Infinity 1.014446 -Infinity
32626
530 pt -10.38535 -6.03807 4.03592 Infinity 1.094518 Infinity
32627
531 pt -8.51457 -6.58843 6.42842 Infinity 1.073150 Infinity
32628
532 pt 5.52739 2.65014 -4.06066 -Infinity 2.354843 -Infinity
32629
533 pt 6.35202 3.17835 -2.44448 Infinity 2.303388 Infinity
32630
534 pt 5.39337 4.13905 -5.21663 Infinity 2.230275 Infinity
32631
535 pt -1.60006 -3.19207 4.38461 -Infinity 1.816033 -Infinity
32632
536 pt -1.72763 -1.30796 4.45469 Infinity 2.126726 Infinity
32633
537 pt 0.21918 -3.69933 4.32056 Infinity 1.743745 Infinity
32634
538 pt -4.89814 3.24662 -4.94567 -Infinity 2.767626 -Infinity
32635
539 pt -5.04707 5.07106 -5.41504 Infinity 2.484253 Infinity
32636
540 pt -3.65273 3.05714 -3.53708 Infinity 4.120911 Infinity
32637
541 pt 0.58719 1.91585 5.69951 -Infinity 2.237315 -Infinity
32638
542 pt 0.32008 3.74585 6.08789 Infinity 2.193906 Infinity
32639
543 pt 2.28304 1.68168 4.89931 Infinity 2.306599 Infinity
32640
544 pt -3.04632 -6.84228 1.07758 -Infinity 1.460623 -Infinity
32641
545 pt -2.80697 -6.13149 -0.65694 Infinity 1.599148 Infinity
32642
546 pt -2.69092 -5.50323 2.36276 Infinity 1.604941 Infinity
32643
547 pt -7.05567 -2.18751 -1.77847 -Infinity 1.862951 -Infinity
32644
548 pt -7.91456 -1.08953 -3.05432 Infinity 1.817375 Infinity
32645
549 pt -5.46250 -2.88552 -2.51715 Infinity 1.961569 Infinity
32646
550 pt -2.43542 -4.22659 -3.42350 -Infinity 1.903430 -Infinity
32647
551 pt -2.14841 -5.47038 -4.81694 Infinity 1.603050 Infinity
32648
552 pt -1.03112 -2.96217 -3.40721 Infinity 2.267672 Infinity
32649
553 pt -5.62529 6.77305 1.45768 -Infinity 2.445424 -Infinity
32650
554 pt -6.71582 7.49058 0.09131 Infinity 2.158454 Infinity
32651
555 pt -5.83182 4.89534 1.50908 Infinity 2.683143 Infinity
32652
556 pt -5.66812 1.48064 1.69981 -Infinity 2.662063 -Infinity
32653
557 pt -3.99867 1.86173 0.90057 Infinity 3.923149 Infinity
32654
558 pt -6.52102 0.08948 0.74677 Infinity 2.297681 Infinity
32655
559 pt 1.94021 -1.34694 -4.30056 -Infinity 2.431601 -Infinity
32656
560 pt 3.24993 -0.00540 -4.06396 Infinity 2.588911 Infinity
32657
561 pt 2.26619 -2.26874 -5.91768 Infinity 1.939747 Infinity
32658
562 pt 5.34757 1.04923 3.70826 -Infinity 1.999904 -Infinity
32659
563 pt 5.98987 2.14257 2.30714 Infinity 2.152665 Infinity
32660
564 pt 6.65076 0.94138 5.07249 Infinity 1.629265 Infinity
32661
565 pt 3.61035 -3.88118 4.41975 -Infinity 1.561144 -Infinity
32662
566 pt 4.99799 -5.15309 4.25310 Infinity 1.364822 Infinity
32663
567 pt 4.23674 -2.18743 3.86306 Infinity 1.765779 Infinity
32664
568 pt 16.55098 -4.56507 -5.66567 -Infinity 0.820220 -Infinity
32665
569 pt 16.10202 -5.29853 -7.34839 Infinity 0.803538 Infinity
32666
570 pt 14.97081 -4.12486 -4.72739 Infinity 0.902493 Infinity
32667
571 pt 12.32977 3.20161 -0.44966 -Infinity 1.247951 -Infinity
32668
572 pt 12.49387 2.07325 1.05730 Infinity 1.208290 Infinity
32669
573 pt 14.03885 3.51422 -1.19290 Infinity 1.102332 Infinity
32670
574 pt 12.85310 0.36468 3.80632 -Infinity 1.096531 -Infinity
32671
575 pt 11.46515 0.47486 5.08402 Infinity 1.157060 Infinity
32672
576 pt 14.32256 1.40538 4.37965 Infinity 1.003279 Infinity
32673
577 pt 16.39470 3.96915 5.44334 -Infinity 0.883905 -Infinity
32674
578 pt 15.99966 5.80753 5.25526 Infinity 0.899501 Infinity
32675
579 pt 16.08589 3.43702 7.23011 Infinity 0.862695 Infinity
32676
580 pt 21.27507 3.59124 3.64663 -Infinity 0.718145 -Infinity
32677
581 pt 19.48454 3.60088 4.25074 Infinity 0.773785 Infinity
32678
582 pt 21.52872 2.15274 2.44770 Infinity 0.715556 Infinity
32679
583 pt 17.24679 3.47794 -2.06959 -Infinity 0.900734 -Infinity
32680
584 pt 18.23170 2.11594 -1.20590 Infinity 0.851496 Infinity
32681
585 pt 17.41560 3.28799 -3.94215 Infinity 0.882064 Infinity
32682
586 pt 18.49154 -4.12953 2.42115 -Infinity 0.767803 -Infinity
32683
587 pt 16.73925 -4.20485 1.71766 Infinity 0.834567 Infinity
32684
588 pt 18.41250 -4.09154 4.30884 Infinity 0.756427 Infinity
32685
589 pt 7.53357 4.48699 0.40332 -Infinity 1.972171 -Infinity
32686
590 pt 7.59406 6.06611 1.43956 Infinity 1.836211 Infinity
32687
591 pt 9.29018 3.97392 -0.06798 Infinity 1.635658 Infinity
32688
592 pt 20.65249 -0.46879 -0.62065 -Infinity 0.742011 -Infinity
32689
593 pt 21.10073 -1.36663 -2.22190 Infinity 0.720139 Infinity
32690
594 pt 19.94429 -1.70626 0.61959 Infinity 0.754218 Infinity
32691
595 pt 13.52226 -4.06900 1.02423 -Infinity 0.989294 -Infinity
32692
596 pt 13.09220 -2.48998 1.96911 Infinity 1.049682 Infinity
32693
597 pt 12.74060 -4.00812 -0.69517 Infinity 1.043341 Infinity
32694
598 pt 9.09712 -0.64342 -6.27013 -Infinity 1.359406 -Infinity
32695
599 pt 7.84481 0.56110 -5.52722 Infinity 1.602231 Infinity
32696
600 pt 9.85213 0.11293 -7.82864 Infinity 1.241326 Infinity
32697
601 pt 11.56978 -4.32772 -3.74549 -Infinity 1.084043 -Infinity
32698
602 pt 10.70353 -2.87590 -4.58984 Infinity 1.186952 Infinity
32699
603 pt 10.59355 -5.91476 -4.06068 Infinity 1.066263 Infinity
32700
604 pt -14.37489 14.79258 2.86219 -Infinity 0.877016 -Infinity
32701
605 pt -15.47905 14.28181 1.41615 Infinity 0.862857 Infinity
32702
606 pt -15.30356 14.53327 4.48743 Infinity 0.832988 Infinity
32703
607 pt -12.43164 7.91277 5.06407 -Infinity 1.139248 -Infinity
32704
608 pt -12.77931 6.05652 5.13127 Infinity 1.150804 Infinity
32705
609 pt -13.04589 8.61058 3.41882 Infinity 1.128004 Infinity
32706
610 pt -20.46172 8.37994 1.57159 -Infinity 0.775896 -Infinity
32707
611 pt -21.62526 8.42576 0.08326 Infinity 0.739894 Infinity
32708
612 pt -20.40127 6.62563 2.27144 Infinity 0.787320 Infinity
32709
613 pt -10.86252 18.03317 4.58925 -Infinity 0.857170 -Infinity
32710
614 pt -11.65106 19.20654 5.84323 Infinity 0.784164 Infinity
32711
615 pt -12.20392 16.96665 3.79287 Infinity 0.868165 Infinity
32712
616 pt -7.62740 9.69342 5.20696 -Infinity 1.414707 -Infinity
32713
617 pt -9.43537 9.14433 5.23531 Infinity 1.305445 Infinity
32714
618 pt -6.70486 8.75717 3.84923 Infinity 1.687477 Infinity
32715
619 pt -7.64291 14.62145 6.82715 -Infinity 1.041515 -Infinity
32716
620 pt -8.81645 15.74988 5.86771 Infinity 0.981207 Infinity
32717
621 pt -7.64062 12.90154 6.04421 Infinity 1.163335 Infinity
32718
622 pt -20.78295 18.64519 -0.96947 -Infinity 0.634249 -Infinity
32719
623 pt -22.28422 19.79279 -0.95368 Infinity 0.590076 Infinity
32720
624 pt -20.09737 18.47897 0.78365 Infinity 0.649071 Infinity
32721
625 pt -18.03113 12.78641 -0.37097 -Infinity 0.809670 -Infinity
32722
626 pt -18.79751 11.19562 0.30214 Infinity 0.807932 Infinity
32723
627 pt -19.39700 14.04201 -0.73004 Infinity 0.742397 Infinity
32724
628 pt -19.67270 18.34853 4.18051 -Infinity 0.646966 -Infinity
32725
629 pt -19.07920 19.95699 4.97529 Infinity 0.628289 Infinity
32726
630 pt -18.93722 16.87665 5.10987 Infinity 0.680189 Infinity
32727
631 pt -7.81310 14.55523 -7.57306 -Infinity 1.087831 -Infinity
32728
632 pt -7.71574 15.21060 -5.80330 Infinity 1.104173 Infinity
32729
633 pt -9.55634 13.90898 -7.91156 Infinity 1.043058 Infinity
32730
634 pt -12.91457 19.83860 -2.99530 -Infinity 0.779144 -Infinity
32731
635 pt -14.66101 20.20464 -3.61741 Infinity 0.728323 Infinity
32732
636 pt -12.10814 21.44060 -2.40004 Infinity 0.749941 Infinity
32733
637 pt -8.87660 13.43908 0.41733 -Infinity 1.227571 -Infinity
32734
638 pt -10.53235 13.62315 1.30935 Infinity 1.111829 Infinity
32735
639 pt -8.81469 11.76606 -0.45917 Infinity 1.368897 Infinity
32736
640 pt -13.92410 9.28422 0.20930 -Infinity 1.097618 -Infinity
32737
641 pt -15.16856 10.67930 -0.06660 Infinity 0.983385 Infinity
32738
642 pt -14.55155 7.70599 -0.61927 Infinity 1.098377 Infinity
32739
643 pt -8.63770 8.92540 -2.02873 -Infinity 1.640270 -Infinity
32740
644 pt -10.49533 8.60673 -2.16548 Infinity 1.430417 Infinity
32741
645 pt -7.82585 8.65763 -3.71403 Infinity 1.724514 Infinity
32742
646 pt -8.36053 17.33965 -2.88368 -Infinity 1.002560 -Infinity
32743
647 pt -8.42221 15.95092 -1.60357 Infinity 1.087488 Infinity
32744
648 pt -10.04043 18.20163 -2.96092 Infinity 0.911085 Infinity
32745
649 pt -17.64138 21.10221 -4.49208 -Infinity 0.647173 -Infinity
32746
650 pt -17.92012 22.97115 -4.47104 Infinity 0.609248 Infinity
32747
651 pt -18.78691 20.27924 -3.23448 Infinity 0.644444 Infinity
32748
652 pt -14.54629 14.75833 -4.13211 -Infinity 0.880072 -Infinity
32749
653 pt -14.06087 16.47714 -3.51475 Infinity 0.848735 Infinity
32750
654 pt -15.86954 14.03037 -2.99626 Infinity 0.858097 Infinity
32751
655 pt -1.04546 8.94451 2.24417 -Infinity 2.482923 -Infinity
32752
656 pt -2.65256 8.05187 1.80657 Infinity 2.723615 Infinity
32753
657 pt -0.44650 8.36965 3.94177 Infinity 2.277276 Infinity
32754
658 pt 5.16508 13.32438 6.05089 -Infinity 1.201565 -Infinity
32755
659 pt 7.05449 13.29983 6.07492 Infinity 1.126517 Infinity
32756
660 pt 4.50187 12.01581 7.24204 Infinity 1.244971 Infinity
32757
661 pt 1.96912 11.73598 -0.97359 -Infinity 1.882692 -Infinity
32758
662 pt 1.09758 10.57928 0.24030 Infinity 2.188271 Infinity
32759
663 pt 3.83434 11.67275 -0.67689 Infinity 1.753780 Infinity
32760
664 pt 0.76238 12.80549 -5.83943 -Infinity 1.531577 -Infinity
32761
665 pt 1.04282 12.24138 -4.05780 Infinity 1.725404 Infinity
32762
666 pt 2.40942 12.81194 -6.76586 Infinity 1.429348 Infinity
32763
667 pt 0.15043 17.50834 -3.76897 -Infinity 1.126803 -Infinity
32764
668 pt 1.73837 17.89872 -2.82181 Infinity 1.096983 Infinity
32765
669 pt 0.21617 15.73012 -4.40511 Infinity 1.268176 Infinity
32766
670 pt -3.54353 13.76947 1.45805 -Infinity 1.456678 -Infinity
32767
671 pt -2.76164 12.05159 1.55083 Infinity 1.734573 Infinity
32768
672 pt -5.38998 13.60336 1.09189 Infinity 1.402757 Infinity
32769
673 pt 2.22953 15.85317 2.70725 -Infinity 1.218747 -Infinity
32770
674 pt 1.35282 14.64550 1.54795 Infinity 1.387820 Infinity
32771
675 pt 3.30635 14.88966 3.92511 Infinity 1.237467 Infinity
32772
676 pt 2.11673 20.02869 5.67852 -Infinity 0.890231 -Infinity
32773
677 pt 1.23596 19.78645 7.33280 Infinity 0.872134 Infinity
32774
678 pt 1.84611 18.50721 4.59089 Infinity 0.991318 Infinity
32775
679 pt -6.69653 19.79347 -7.29387 -Infinity 0.867692 -Infinity
32776
680 pt -6.97570 19.52567 -5.44416 Infinity 0.900822 Infinity
32777
681 pt -7.32303 18.28920 -8.25081 Infinity 0.902247 Infinity
32778
682 pt -3.80636 20.07667 -1.62082 -Infinity 0.949855 -Infinity
32779
683 pt -2.40326 18.98149 -2.25562 Infinity 1.027335 Infinity
32780
684 pt -5.40970 19.07811 -1.56368 Infinity 0.982827 Infinity
32781
685 pt 7.18683 20.32977 4.21069 -Infinity 0.835626 -Infinity
32782
686 pt 5.40853 20.09761 4.80636 Infinity 0.865539 Infinity
32783
687 pt 7.75817 18.77138 3.30734 Infinity 0.898646 Infinity
32784
688 pt 4.39482 18.66951 -1.00442 -Infinity 1.010283 -Infinity
32785
689 pt 6.23176 18.23131 -0.93605 Infinity 0.994670 Infinity
32786
690 pt 3.49552 17.84579 0.43913 Infinity 1.075752 Infinity
32787
691 pt -5.81876 7.99782 -6.42792 -Infinity 1.826839 -Infinity
32788
692 pt -4.63187 9.19519 -7.28155 Infinity 1.708534 Infinity
32789
693 pt -7.52197 8.11249 -7.23845 Infinity 1.542341 Infinity
32790
694 pt 5.30559 7.12030 -6.74311 -Infinity 1.824631 -Infinity
32791
695 pt 6.93610 7.44340 -7.64205 Infinity 1.511972 Infinity
32792
696 pt 4.65078 8.73982 -6.02237 Infinity 1.837071 Infinity
32793
697 pt -3.27421 16.92805 5.59097 -Infinity 1.052368 -Infinity
32794
698 pt -2.79938 16.12479 3.94768 Infinity 1.164456 Infinity
32795
699 pt -4.83246 16.10226 6.26993 Infinity 1.054046 Infinity
32796
700 pt 10.51247 12.75893 5.91033 -Infinity 1.006228 -Infinity
32797
701 pt 11.46400 14.06131 4.92572 Infinity 0.943916 Infinity
32798
702 pt 11.55856 12.18785 7.37683 Infinity 0.940149 Infinity
32799
703 pt 21.02074 11.18789 5.73531 -Infinity 0.672427 -Infinity
32800
704 pt 21.66297 9.94321 4.46671 Infinity 0.675361 Infinity
32801
705 pt 20.70567 10.30882 7.37818 Infinity 0.672880 Infinity
32802
706 pt 11.20937 10.51555 -3.38202 -Infinity 1.166298 -Infinity
32803
707 pt 11.48668 8.96435 -4.42506 Infinity 1.186693 Infinity
32804
708 pt 12.62684 10.70720 -2.14706 Infinity 1.073946 Infinity
32805
709 pt 16.06061 9.92002 4.83481 -Infinity 0.857897 -Infinity
32806
710 pt 17.84160 10.54774 4.90630 Infinity 0.781408 Infinity
32807
711 pt 15.21809 10.22143 6.49926 Infinity 0.858744 Infinity
32808
712 pt 17.75792 17.66393 4.65603 -Infinity 0.674462 -Infinity
32809
713 pt 17.42673 18.04203 6.47768 Infinity 0.660992 Infinity
32810
714 pt 19.60913 17.81332 4.30707 Infinity 0.635364 Infinity
32811
715 pt 14.98492 17.10309 -3.44561 -Infinity 0.775104 -Infinity
32812
716 pt 14.76780 16.76149 -1.59974 Infinity 0.795094 Infinity
32813
717 pt 16.74635 16.65916 -3.96652 Infinity 0.734334 Infinity
32814
718 pt 14.03992 15.74713 1.58747 -Infinity 0.838099 -Infinity
32815
719 pt 15.34080 16.47476 2.74909 Infinity 0.771720 Infinity
32816
720 pt 14.54356 13.99345 1.09552 Infinity 0.871170 Infinity
32817
721 pt 18.99372 8.50352 -2.41117 -Infinity 0.795399 -Infinity
32818
722 pt 19.44916 9.04610 -4.16310 Infinity 0.766237 Infinity
32819
723 pt 18.42889 6.70035 -2.43589 Infinity 0.833174 Infinity
32820
724 pt 8.85095 16.48082 0.99142 -Infinity 0.999150 -Infinity
32821
725 pt 10.73545 16.40647 1.11062 Infinity 0.933761 Infinity
32822
726 pt 8.17348 14.75558 0.62315 Infinity 1.127957 Infinity
32823
727 pt 7.14384 11.58929 -0.29709 -Infinity 1.454028 -Infinity
32824
728 pt 7.40502 10.45318 1.19022 Infinity 1.506683 Infinity
32825
729 pt 8.46422 11.23451 -1.60162 Infinity 1.367658 Infinity
32826
730 pt 19.81226 16.06567 -5.07812 -Infinity 0.662886 -Infinity
32827
731 pt 20.03935 16.89810 -6.75936 Infinity 0.637607 Infinity
32828
732 pt 20.82779 16.98519 -3.77648 Infinity 0.632479 Infinity
32829
733 pt 11.45764 14.85064 -6.33231 -Infinity 0.930640 -Infinity
32830
734 pt 11.11921 13.25384 -5.38006 Infinity 1.022332 Infinity
32831
735 pt 12.79668 15.84400 -5.44278 Infinity 0.862469 Infinity
32832
736 pt 12.05188 21.30956 -4.22413 -Infinity 0.730354 -Infinity
32833
737 pt 11.29609 21.78183 -2.55776 Infinity 0.737346 Infinity
32834
738 pt 13.19792 19.82400 -3.99882 Infinity 0.747606 Infinity
32835
739 pt 8.22931 8.58297 3.72201 -Infinity 1.445844 -Infinity
32836
740 pt 9.25766 10.05863 4.30164 Infinity 1.247975 Infinity
32837
741 pt 7.92217 7.41736 5.17737 Infinity 1.440260 Infinity
32838
742 pt 15.15190 10.95722 -0.04347 -Infinity 0.926271 -Infinity
32839
743 pt 15.25740 10.37303 1.75059 Infinity 0.923023 Infinity
32840
744 pt 16.58027 10.21533 -1.03363 Infinity 0.875674 Infinity
32841
745 pt -17.86368 -6.72740 21.14776 -Infinity 0.533447 -Infinity
32842
746 pt -17.49533 -7.28541 22.91525 Infinity 0.510922 Infinity
32843
747 pt -17.77187 -8.21400 19.98472 Infinity 0.539701 Infinity
32844
748 pt -17.83772 -10.42268 17.78666 -Infinity 0.548717 -Infinity
32845
749 pt -17.79931 -10.25219 15.90503 Infinity 0.574170 Infinity
32846
750 pt -16.96416 -12.01990 18.29344 Infinity 0.537025 Infinity
32847
751 pt -13.40370 -15.47948 10.67092 -Infinity 0.619871 -Infinity
32848
752 pt -13.53831 -13.67008 11.19914 Infinity 0.644375 Infinity
32849
753 pt -12.62792 -15.57851 8.95062 Infinity 0.646103 Infinity
32850
754 pt -9.03126 -8.80729 21.17834 -Infinity 0.595740 -Infinity
32851
755 pt -8.72983 -7.03533 21.76174 Infinity 0.603941 Infinity
32852
756 pt -7.41888 -9.78766 21.27921 Infinity 0.593599 Infinity
32853
757 pt -10.10062 -18.37840 13.55774 -Infinity 0.569887 -Infinity
32854
758 pt -11.10067 -17.13022 12.55126 Infinity 0.593679 Infinity
32855
759 pt -9.06126 -19.44149 12.39127 Infinity 0.571166 Infinity
32856
760 pt -7.73996 -19.83490 18.06084 -Infinity 0.514398 -Infinity
32857
761 pt -8.67689 -21.45781 18.30452 Infinity 0.489165 Infinity
32858
762 pt -8.39471 -18.95314 16.52302 Infinity 0.539323 Infinity
32859
763 pt -18.52993 -9.50266 12.70859 -Infinity 0.612087 -Infinity
32860
764 pt -16.76598 -9.99740 12.24515 Infinity 0.640640 Infinity
32861
765 pt -18.70053 -7.62251 12.62490 Infinity 0.631771 Infinity
32862
766 pt -12.62201 -21.03710 7.79151 -Infinity 0.555099 -Infinity
32863
767 pt -11.96667 -19.32979 7.31541 Infinity 0.593849 Infinity
32864
768 pt -14.49803 -21.07770 7.56797 Infinity 0.540144 Infinity
32865
769 pt -13.47262 -10.58724 12.60296 -Infinity 0.679603 -Infinity
32866
770 pt -12.33101 -9.39950 11.67717 Infinity 0.738552 Infinity
32867
771 pt -12.78422 -10.90333 14.33421 Infinity 0.655015 Infinity
32868
772 pt -13.66249 -21.06408 16.07793 -Infinity 0.488190 -Infinity
32869
773 pt -12.58927 -22.13040 17.21029 Infinity 0.473621 Infinity
32870
774 pt -12.56383 -19.87414 15.10425 Infinity 0.517254 Infinity
32871
775 pt -11.49719 -11.71175 17.27747 -Infinity 0.608771 -Infinity
32872
776 pt -11.11699 -10.47760 18.65711 Infinity 0.605173 Infinity
32873
777 pt -9.88753 -12.49065 16.66641 Infinity 0.622467 Infinity
32874
778 pt 1.81062 -6.67088 19.22982 -Infinity 0.698650 -Infinity
32875
779 pt 1.31046 -7.67124 20.75304 Infinity 0.648847 Infinity
32876
780 pt 1.02904 -7.43526 17.68842 Infinity 0.732246 Infinity
32877
781 pt 7.20434 -8.05429 13.79591 -Infinity 0.782219 -Infinity
32878
782 pt 6.62344 -6.57519 14.81860 Infinity 0.791357 Infinity
32879
783 pt 5.73906 -8.78191 12.85009 Infinity 0.812098 Infinity
32880
784 pt 7.76601 -14.70599 13.02332 -Infinity 0.650644 -Infinity
32881
785 pt 6.99487 -13.08572 13.61589 Infinity 0.680544 Infinity
32882
786 pt 6.55055 -15.60598 11.89030 Infinity 0.659195 Infinity
32883
787 pt 0.62301 -19.93930 12.48493 -Infinity 0.587881 -Infinity
32884
788 pt -0.84936 -18.80563 12.82841 Infinity 0.606223 Infinity
32885
789 pt 0.04429 -21.44389 11.49884 Infinity 0.570329 Infinity
32886
790 pt -6.70181 -12.71457 15.81550 -Infinity 0.658957 -Infinity
32887
791 pt -6.56356 -10.89039 15.34191 Infinity 0.704449 Infinity
32888
792 pt -5.33478 -13.15273 17.04445 Infinity 0.636259 Infinity
32889
793 pt 4.18348 -17.03332 10.04953 -Infinity 0.668046 -Infinity
32890
794 pt 3.04779 -18.20176 11.00662 Infinity 0.634515 Infinity
32891
795 pt 3.15165 -15.97281 8.87407 Infinity 0.717377 Infinity
32892
796 pt -6.54501 -7.68307 14.28457 -Infinity 0.800705 -Infinity
32893
797 pt -5.80649 -8.26282 12.64459 Infinity 0.847135 Infinity
32894
798 pt -5.50128 -6.27068 14.98231 Infinity 0.820628 Infinity
32895
799 pt 1.50513 -20.28183 17.58943 -Infinity 0.526271 -Infinity
32896
800 pt -0.12634 -21.20715 17.82003 Infinity 0.512708 Infinity
32897
801 pt 1.78201 -19.93945 15.75172 Infinity 0.550704 Infinity
32898
802 pt 3.08731 -9.67059 11.44631 -Infinity 0.858266 -Infinity
32899
803 pt 2.31973 -10.08094 9.76896 Infinity 0.902333 Infinity
32900
804 pt 1.76467 -8.94631 12.58521 Infinity 0.854467 Infinity
32901
805 pt -3.70744 -16.64423 13.77095 -Infinity 0.631992 -Infinity
32902
806 pt -5.19637 -15.55739 14.18679 Infinity 0.641535 Infinity
32903
807 pt -3.57428 -16.84157 11.89628 Infinity 0.655385 Infinity
32904
808 pt -3.06808 -17.24967 8.86368 -Infinity 0.688116 -Infinity
32905
809 pt -1.70213 -16.29013 7.97793 Infinity 0.730353 Infinity
32906
810 pt -3.78968 -18.54572 7.69295 Infinity 0.665188 Infinity
32907
811 pt -0.63309 -7.83311 14.61176 -Infinity 0.823175 -Infinity
32908
812 pt -1.75239 -8.84533 13.47438 Infinity 0.833069 Infinity
32909
813 pt -1.42397 -6.14833 14.93898 Infinity 0.851409 Infinity
32910
814 pt -2.77863 -14.83547 18.63298 -Infinity 0.590525 -Infinity
32911
815 pt -2.74440 -15.72082 16.96384 Infinity 0.602857 Infinity
32912
816 pt -1.77460 -15.82402 19.89225 Infinity 0.558942 Infinity
32913
817 pt 5.72333 -20.72126 20.64064 -Infinity 0.481535 -Infinity
32914
818 pt 5.11330 -22.10289 21.77644 Infinity 0.458742 Infinity
32915
819 pt 4.47252 -20.44876 19.25057 Infinity 0.501409 Infinity
32916
820 pt -3.87574 -9.25134 10.15268 -Infinity 0.919680 -Infinity
32917
821 pt -3.37922 -10.70205 9.04815 Infinity 0.900741 Infinity
32918
822 pt -4.33162 -7.76626 9.07670 Infinity 1.018612 Infinity
32919
823 pt 10.34836 -9.49958 17.59387 -Infinity 0.632412 -Infinity
32920
824 pt 9.30095 -9.02092 16.09559 Infinity 0.680768 Infinity
32921
825 pt 9.22202 -10.11823 18.97941 Infinity 0.610391 Infinity
32922
826 pt 15.16747 -9.43813 12.28267 -Infinity 0.655159 -Infinity
32923
827 pt 14.65660 -7.93999 13.31498 Infinity 0.668833 Infinity
32924
828 pt 16.83832 -10.08107 12.88759 Infinity 0.611164 Infinity
32925
829 pt 13.85189 -13.16259 17.73509 -Infinity 0.550899 -Infinity
32926
830 pt 13.83043 -14.08909 16.08821 Infinity 0.560218 Infinity
32927
831 pt 12.48819 -11.85441 17.74089 Infinity 0.578808 Infinity
32928
832 pt 19.65288 -11.14103 14.31439 -Infinity 0.544622 -Infinity
32929
833 pt 19.20178 -10.54847 16.05118 Infinity 0.538028 Infinity
32930
834 pt 21.35988 -10.47962 13.84560 Infinity 0.532895 Infinity
32931
835 pt 13.63110 -19.83528 8.24225 -Infinity 0.552313 -Infinity
32932
836 pt 14.68378 -18.57292 9.17465 Infinity 0.555135 Infinity
32933
837 pt 11.82780 -19.27035 8.23458 Infinity 0.578473 Infinity
32934
838 pt 12.96201 -14.11221 12.55141 -Infinity 0.611980 -Infinity
32935
839 pt 11.07578 -14.21067 12.49220 Infinity 0.633398 Infinity
32936
840 pt 13.51032 -12.32832 12.25446 Infinity 0.637216 Infinity
32937
841 pt 20.72503 -13.85279 9.48197 -Infinity 0.542518 -Infinity
32938
842 pt 20.72057 -12.68174 10.96510 Infinity 0.544510 Infinity
32939
843 pt 21.86269 -13.16541 8.13873 Infinity 0.542683 Infinity
32940
844 pt 13.58065 -7.55220 7.80552 -Infinity 0.796208 -Infinity
32941
845 pt 11.96335 -6.70454 8.29220 Infinity 0.853478 Infinity
32942
846 pt 14.27591 -8.48667 9.29362 Infinity 0.734628 Infinity
32943
847 pt 17.00850 -9.18745 18.65706 -Infinity 0.544987 -Infinity
32944
848 pt 16.09019 -10.81680 18.38690 Infinity 0.544181 Infinity
32945
849 pt 16.13605 -8.18696 20.00203 Infinity 0.544864 Infinity
32946
850 pt 10.69448 -18.87819 14.87488 -Infinity 0.536951 -Infinity
32947
851 pt 12.18822 -18.69705 13.73164 Infinity 0.539210 Infinity
32948
852 pt 9.42892 -17.53227 14.47750 Infinity 0.569328 Infinity
32949
853 pt 8.54037 -18.70956 7.59687 -Infinity 0.623915 -Infinity
32950
854 pt 8.14828 -20.18496 6.48308 Infinity 0.604453 Infinity
32951
855 pt 7.01130 -18.26233 8.61324 Infinity 0.636960 Infinity
32952
856 pt 16.92278 -16.89997 10.87388 -Infinity 0.542461 -Infinity
32953
857 pt 18.33712 -15.85174 10.18690 Infinity 0.544517 Infinity
32954
858 pt 15.60622 -15.77010 11.62298 Infinity 0.566017 Infinity
32955
859 pt -14.35788 1.01060 18.28953 -Infinity 0.668881 -Infinity
32956
860 pt -12.58031 0.63086 18.80636 Infinity 0.682946 Infinity
32957
861 pt -15.21831 -0.58863 17.76687 Infinity 0.660226 Infinity
32958
862 pt -10.71732 -4.55712 15.61761 -Infinity 0.755745 -Infinity
32959
863 pt -9.38836 -5.84332 15.22948 Infinity 0.768992 Infinity
32960
864 pt -10.05018 -3.32276 16.88344 Infinity 0.745499 Infinity
32961
865 pt -18.95550 4.15384 8.42968 -Infinity 0.773327 -Infinity
32962
866 pt -17.93014 2.58159 8.64815 Infinity 0.803887 Infinity
32963
867 pt -19.87398 4.08392 6.77966 Infinity 0.768229 Infinity
32964
868 pt -7.52670 5.20021 16.38180 -Infinity 0.846983 -Infinity
32965
869 pt -8.84969 6.54780 16.45102 Infinity 0.814789 Infinity
32966
870 pt -7.22663 4.52078 18.11944 Infinity 0.785656 Infinity
32967
871 pt -19.46899 -4.41127 13.56380 -Infinity 0.635019 -Infinity
32968
872 pt -17.87504 -3.87704 14.42692 Infinity 0.655897 Infinity
32969
873 pt -20.75024 -4.91302 14.85907 Infinity 0.591010 Infinity
32970
874 pt -15.63460 -3.93400 17.04004 -Infinity 0.646920 -Infinity
32971
875 pt -16.14148 -4.92801 18.56519 Infinity 0.604367 Infinity
32972
876 pt -13.86076 -4.37499 16.56039 Infinity 0.681531 Infinity
32973
877 pt -15.93708 -0.20604 8.36100 -Infinity 0.869656 -Infinity
32974
878 pt -14.57889 -0.79265 9.53670 Infinity 0.884569 Infinity
32975
879 pt -17.17813 -1.60378 8.08315 Infinity 0.815007 Infinity
32976
880 pt -14.77928 5.29642 15.34941 -Infinity 0.734050 -Infinity
32977
881 pt -14.78921 3.83309 16.54508 Infinity 0.706282 Infinity
32978
882 pt -13.89403 4.80218 13.75469 Infinity 0.800687 Infinity
32979
883 pt -19.13112 -4.29165 8.40806 -Infinity 0.718965 -Infinity
32980
884 pt -20.80993 -4.58444 7.59140 Infinity 0.682127 Infinity
32981
885 pt -19.34242 -4.24398 10.28533 Infinity 0.687409 Infinity
32982
886 pt -12.00021 -1.54854 11.49486 -Infinity 0.901965 -Infinity
32983
887 pt -10.32772 -1.52533 10.61549 Infinity 0.996681 Infinity
32984
888 pt -11.89258 -2.65038 13.02634 Infinity 0.836548 Infinity
32985
889 pt -9.44113 -1.08731 19.32084 -Infinity 0.703446 -Infinity
32986
890 pt -9.11077 -2.31294 20.72076 Infinity 0.662262 Infinity
32987
891 pt -8.28777 0.39907 19.49828 Infinity 0.719925 Infinity
32988
892 pt -18.77412 7.27244 12.60862 -Infinity 0.693389 -Infinity
32989
893 pt -17.42928 6.60547 13.75649 Infinity 0.705963 Infinity
32990
894 pt -18.91657 6.15792 11.08921 Infinity 0.721976 Infinity
32991
895 pt -12.53798 3.70249 11.02414 -Infinity 0.940065 -Infinity
32992
896 pt -12.15385 1.91861 11.51534 Infinity 0.930900 Infinity
32993
897 pt -13.21793 3.73907 9.26136 Infinity 0.979998 Infinity
32994
898 pt 5.45115 -4.11503 16.61275 -Infinity 0.790723 -Infinity
32995
899 pt 4.26702 -4.96270 17.81707 Infinity 0.750467 Infinity
32996
900 pt 4.50981 -2.82030 15.60846 Infinity 0.859936 Infinity
32997
901 pt 0.10409 2.35483 19.91382 -Infinity 0.759708 -Infinity
32998
902 pt -0.78443 3.53731 21.08997 Infinity 0.721037 Infinity
32999
903 pt -0.44436 0.58158 20.26854 Infinity 0.741420 Infinity
33000
904 pt -7.25769 -1.01792 9.68711 -Infinity 1.186671 -Infinity
33001
905 pt -7.36192 0.34402 8.38123 Infinity 1.324452 Infinity
33002
906 pt -6.38326 -0.35238 11.22447 Infinity 1.128378 Infinity
33003
907 pt -3.60303 -3.69805 15.84666 -Infinity 0.855666 -Infinity
33004
908 pt -4.30929 -2.14053 15.04268 Infinity 0.912387 Infinity
33005
909 pt -2.90856 -3.26892 17.55095 Infinity 0.799481 Infinity
33006
910 pt -5.16822 0.93584 13.95799 -Infinity 1.001760 -Infinity
33007
911 pt -6.27962 2.26872 14.70584 Infinity 0.948879 Infinity
33008
912 pt -3.36800 1.50709 14.02089 Infinity 1.030357 Infinity
33009
913 pt -5.45419 -5.22758 7.37469 -Infinity 1.216475 -Infinity
33010
914 pt -6.16251 -3.72513 8.27580 Infinity 1.219501 Infinity
33011
915 pt -4.07589 -4.67141 6.20762 Infinity 1.383443 Infinity
33012
916 pt -1.29326 -2.63744 20.40034 -Infinity 0.714373 -Infinity
33013
917 pt 0.00075 -3.99019 20.14215 Infinity 0.709108 Infinity
33014
918 pt -2.05263 -2.81105 22.12205 Infinity 0.662979 Infinity
33015
919 pt 3.32394 6.59266 15.37576 -Infinity 0.931085 -Infinity
33016
920 pt 2.22604 7.99704 16.00295 Infinity 0.895058 Infinity
33017
921 pt 2.28477 5.02981 15.15511 Infinity 0.965926 Infinity
33018
922 pt 3.11322 -0.68140 13.59847 -Infinity 1.015891 -Infinity
33019
923 pt 1.91026 0.64293 14.20683 Infinity 1.013260 Infinity
33020
924 pt 2.53741 -1.33427 11.92119 Infinity 1.120653 Infinity
33021
925 pt 1.77229 -1.95877 8.96306 -Infinity 1.360916 -Infinity
33022
926 pt 2.51962 -3.14045 7.69176 Infinity 1.387391 Infinity
33023
927 pt 1.02324 -0.46825 8.07516 Infinity 1.569815 Infinity
33024
928 pt -5.02902 6.57723 8.59095 -Infinity 1.439452 -Infinity
33025
929 pt -5.85160 4.98088 8.00265 Infinity 1.504360 Infinity
33026
930 pt -5.90138 8.06107 7.81103 Infinity 1.409853 Infinity
33027
931 pt 5.15097 3.62175 19.56523 -Infinity 0.746634 -Infinity
33028
932 pt 3.39601 2.93911 19.72395 Infinity 0.754679 Infinity
33029
933 pt 5.16425 5.04530 18.32250 Infinity 0.788633 Infinity
33030
934 pt -0.39771 3.00873 14.94090 -Infinity 0.996173 -Infinity
33031
935 pt -1.45900 4.50417 14.48441 Infinity 1.022434 Infinity
33032
936 pt -0.36954 2.80484 16.81938 Infinity 0.891718 Infinity
33033
937 pt -6.64425 3.06740 20.98054 -Infinity 0.698459 -Infinity
33034
938 pt -8.05623 3.05400 22.23640 Infinity 0.652721 Infinity
33035
939 pt -5.08996 3.77880 21.78624 Infinity 0.685814 Infinity
33036
940 pt -3.54158 6.82065 13.62283 -Infinity 1.040145 -Infinity
33037
941 pt -4.02154 6.90553 11.79704 Infinity 1.160859 Infinity
33038
942 pt -5.07584 6.45005 14.66196 Infinity 0.960609 Infinity
33039
943 pt 15.28954 2.36985 10.19334 -Infinity 0.822743 -Infinity
33040
944 pt 14.41916 3.27122 11.60792 Infinity 0.816554 Infinity
33041
945 pt 15.82135 0.65151 10.77261 Infinity 0.784257 Infinity
33042
946 pt 13.60356 5.48760 20.47039 -Infinity 0.619179 -Infinity
33043
947 pt 15.05713 4.42864 21.05075 Infinity 0.590799 Infinity
33044
948 pt 14.20978 6.75061 19.20218 Infinity 0.633287 Infinity
33045
949 pt 17.83245 -4.42490 7.54906 -Infinity 0.732949 -Infinity
33046
950 pt 17.61320 -3.43548 9.14407 Infinity 0.727629 Infinity
33047
951 pt 16.41985 -5.66853 7.37881 Infinity 0.757967 Infinity
33048
952 pt 20.63972 -5.69244 17.81690 -Infinity 0.535624 -Infinity
33049
953 pt 22.06785 -6.15055 18.96654 Infinity 0.503867 Infinity
33050
954 pt 19.21926 -6.91544 18.05699 Infinity 0.543151 Infinity
33051
955 pt 9.03176 -5.69477 9.46747 -Infinity 0.938900 -Infinity
33052
956 pt 8.50798 -6.82408 10.88921 Infinity 0.874099 Infinity
33053
957 pt 8.73232 -3.89243 9.95015 Infinity 0.983514 Infinity
33054
958 pt 8.08022 -1.06663 11.74698 -Infinity 0.990133 -Infinity
33055
959 pt 9.12326 -1.17998 13.31870 Infinity 0.888871 Infinity
33056
960 pt 6.27345 -0.76191 12.20938 Infinity 1.026954 Infinity
33057
961 pt 7.59027 6.14260 8.18668 -Infinity 1.275181 -Infinity
33058
962 pt 5.89005 6.69736 8.79706 Infinity 1.315301 Infinity
33059
963 pt 8.92505 6.80632 9.34810 Infinity 1.110635 Infinity
33060
964 pt 16.80376 -2.32912 12.31045 -Infinity 0.704928 -Infinity
33061
965 pt 15.60889 -3.45022 13.25197 Infinity 0.704283 Infinity
33062
966 pt 18.35500 -2.04461 13.35150 Infinity 0.654869 Infinity
33063
967 pt 10.05784 -1.84145 16.49902 -Infinity 0.753005 -Infinity
33064
968 pt 10.18836 -0.51534 17.83896 Infinity 0.722519 Infinity
33065
969 pt 8.44495 -2.80179 16.71673 Infinity 0.763471 Infinity
33066
970 pt 9.02814 1.27670 7.27226 -Infinity 1.240820 -Infinity
33067
971 pt 8.88815 0.32546 8.89909 Infinity 1.133695 Infinity
33068
972 pt 8.66400 3.10572 7.57748 Infinity 1.268467 Infinity
33069
973 pt 10.01207 1.83638 20.06946 -Infinity 0.674877 -Infinity
33070
974 pt 8.23302 2.46527 19.96683 Infinity 0.700541 Infinity
33071
975 pt 11.18351 3.29650 20.32801 Infinity 0.655417 Infinity
33072
976 pt 13.02417 4.68103 14.39936 -Infinity 0.776937 -Infinity
33073
977 pt 14.17956 5.93934 15.20731 Infinity 0.725341 Infinity
33074
978 pt 12.54695 3.35995 15.66351 Infinity 0.753136 Infinity
33075
979 pt 20.48377 -0.73546 19.46276 -Infinity 0.538581 -Infinity
33076
980 pt 21.58447 -0.96895 20.98099 Infinity 0.506769 Infinity
33077
981 pt 20.28909 -2.38668 18.56463 Infinity 0.547021 Infinity
33078
982 pt 13.50885 -5.46811 15.27662 -Infinity 0.683588 -Infinity
33079
983 pt 13.04466 -6.89550 16.42472 Infinity 0.652109 Infinity
33080
984 pt 12.36489 -3.99947 15.60149 Infinity 0.713293 Infinity
33081
985 pt -8.55976 13.14481 11.60943 -Infinity 0.897714 -Infinity
33082
986 pt -9.33514 11.43106 11.42804 Infinity 0.929800 Infinity
33083
987 pt -8.19325 13.85593 9.89740 Infinity 0.946733 Infinity
33084
988 pt -10.43539 18.37426 18.47158 -Infinity 0.604939 -Infinity
33085
989 pt -10.09193 17.95508 20.28193 Infinity 0.582428 Infinity
33086
990 pt -10.76313 16.78285 17.50666 Infinity 0.640094 Infinity
33087
991 pt -11.44291 8.86346 17.26625 -Infinity 0.727554 -Infinity
33088
992 pt -12.84566 7.74341 16.67562 Infinity 0.727255 Infinity
33089
993 pt -11.11900 8.55420 19.10214 Infinity 0.685828 Infinity
33090
994 pt -11.82220 13.92481 15.61234 -Infinity 0.706150 -Infinity
33091
995 pt -11.79541 12.21857 16.42420 Infinity 0.709826 Infinity
33092
996 pt -10.65671 13.93414 14.12487 Infinity 0.761614 Infinity
33093
997 pt -17.72013 14.22438 6.78913 -Infinity 0.737983 -Infinity
33094
998 pt -19.25306 13.23262 6.30168 Infinity 0.717571 Infinity
33095
999 pt -17.17029 13.72298 8.52618 Infinity 0.736886 Infinity
33096
1000 pt -16.78844 12.13271 11.60132 -Infinity 0.717213 -Infinity
33097
1001 pt -17.48318 10.39532 11.86564 Infinity 0.715157 Infinity
33098
1002 pt -14.97921 12.17825 12.14508 Infinity 0.748217 Infinity
33099
1003 pt -11.12398 8.79056 10.23758 -Infinity 0.978521 -Infinity
33100
1004 pt -11.71677 8.82632 8.44359 Infinity 1.026300 Infinity
33101
1005 pt -11.29040 7.03710 10.92223 Infinity 0.971129 Infinity
33102
1006 pt -21.45679 14.31271 12.50288 -Infinity 0.589546 -Infinity
33103
1007 pt -21.54154 15.99519 13.35913 Infinity 0.564565 Infinity
33104
1008 pt -19.64984 13.79729 12.30202 Infinity 0.628456 Infinity
33105
1009 pt -16.10633 17.16415 16.42899 -Infinity 0.590761 -Infinity
33106
1010 pt -14.88177 15.81375 15.93106 Infinity 0.630032 Infinity
33107
1011 pt -15.33966 18.86107 16.10689 Infinity 0.584955 Infinity
33108
1012 pt -7.99355 20.83351 10.28599 -Infinity 0.727874 -Infinity
33109
1013 pt -9.74673 20.75069 9.58558 Infinity 0.719795 Infinity
33110
1014 pt -6.77769 21.23807 8.89708 Infinity 0.753375 Infinity
33111
1015 pt -0.48096 9.94792 16.49141 -Infinity 0.855188 -Infinity
33112
1016 pt -1.63715 8.87621 15.44943 Infinity 0.918667 Infinity
33113
1017 pt -1.23474 11.66782 16.70313 Infinity 0.817720 Infinity
33114
1018 pt 3.68073 8.66125 10.59626 -Infinity 1.192490 -Infinity
33115
1019 pt 3.34555 7.55119 12.08840 Infinity 1.118624 Infinity
33116
1020 pt 4.73090 10.13819 11.13185 Infinity 1.079508 Infinity
33117
1021 pt -1.30133 18.55492 10.05201 -Infinity 0.856106 -Infinity
33118
1022 pt -1.82918 17.95007 8.34128 Infinity 0.927463 Infinity
33119
1023 pt -2.56977 17.99795 11.33727 Infinity 0.835323 Infinity
33120
1024 pt -2.85348 14.51689 16.98705 -Infinity 0.752510 -Infinity
33121
1025 pt -3.94519 15.24942 15.62962 Infinity 0.773615 Infinity
33122
1026 pt -3.85796 14.34022 18.57792 Infinity 0.705798 Infinity
33123
1027 pt -3.24105 20.38192 17.67302 -Infinity 0.631627 -Infinity
33124
1028 pt -3.66431 19.21288 16.24991 Infinity 0.679152 Infinity
33125
1029 pt -4.67239 21.58459 17.94859 Infinity 0.603139 Infinity
33126
1030 pt -5.50452 17.17532 13.19699 -Infinity 0.786215 -Infinity
33127
1031 pt -6.44575 15.59294 12.77130 Infinity 0.829607 Infinity
33128
1032 pt -6.37051 18.65681 12.40559 Infinity 0.759343 Infinity
33129
1033 pt -0.02940 6.98843 7.01504 -Infinity 1.806921 -Infinity
33130
1034 pt 1.14891 7.71725 8.30014 Infinity 1.535237 Infinity
33131
1035 pt -1.77530 6.90800 7.73368 Infinity 1.672637 Infinity
33132
1036 pt 6.77363 11.90334 13.32147 -Infinity 0.881327 -Infinity
33133
1037 pt 5.80172 11.93368 14.94182 Infinity 0.835847 Infinity
33134
1038 pt 7.65523 13.55778 13.08344 Infinity 0.835816 Infinity
33135
1039 pt 5.41853 14.45453 19.72900 -Infinity 0.660611 -Infinity
33136
1040 pt 4.29088 15.23998 18.43187 Infinity 0.688583 Infinity
33137
1041 pt 7.21714 14.89356 19.35044 Infinity 0.650425 Infinity
33138
1042 pt 2.49850 10.30865 20.89700 -Infinity 0.689870 -Infinity
33139
1043 pt 3.64088 11.79062 20.63277 Infinity 0.678212 Infinity
33140
1044 pt 1.29428 10.17384 19.44691 Infinity 0.739027 Infinity
33141
1045 pt 2.09371 16.12600 16.25693 -Infinity 0.741940 -Infinity
33142
1046 pt 2.10748 16.98538 14.57398 Infinity 0.769936 Infinity
33143
1047 pt 0.33338 15.57742 16.67088 Infinity 0.745850 Infinity
33144
1048 pt 14.28633 10.91695 9.52734 -Infinity 0.816610 -Infinity
33145
1049 pt 13.02180 9.86394 10.45642 Infinity 0.849686 Infinity
33146
1050 pt 16.02887 10.46101 10.09893 Infinity 0.758860 Infinity
33147
1051 pt 14.29889 13.47433 16.69262 -Infinity 0.636232 -Infinity
33148
1052 pt 15.92982 13.60115 17.63867 Infinity 0.596104 Infinity
33149
1053 pt 14.47159 14.33509 15.01920 Infinity 0.654061 Infinity
33150
1054 pt 17.03841 19.26056 9.68544 -Infinity 0.619078 -Infinity
33151
1055 pt 18.47325 20.07919 10.60312 Infinity 0.577599 Infinity
33152
1056 pt 15.79856 20.58105 9.14678 Infinity 0.623824 Infinity
33153
1057 pt 9.26621 16.36007 13.02087 -Infinity 0.748419 -Infinity
33154
1058 pt 11.08685 16.06847 12.60696 Infinity 0.732718 Infinity
33155
1059 pt 8.92705 18.21738 13.10116 Infinity 0.712906 Infinity
33156
1060 pt 10.65504 21.05002 19.19417 -Infinity 0.551952 -Infinity
33157
1061 pt 10.86232 21.99385 17.57020 Infinity 0.560288 Infinity
33158
1062 pt 8.92991 21.37181 19.89520 Infinity 0.550362 Infinity
33159
1063 pt 15.69520 8.39275 16.71257 -Infinity 0.652059 -Infinity
33160
1064 pt 17.58460 8.39919 16.74756 Infinity 0.618985 Infinity
33161
1065 pt 15.05866 10.17176 16.68110 Infinity 0.652720 Infinity
33162
1066 pt 19.27244 9.98683 10.68193 -Infinity 0.670426 -Infinity
33163
1067 pt 19.84426 11.65582 11.35911 Infinity 0.635951 Infinity
33164
1068 pt 20.29169 8.60385 11.46906 Infinity 0.645432 Infinity
33165
1069 pt 14.24259 15.54852 11.91663 -Infinity 0.695976 -Infinity
33166
1070 pt 14.42128 13.96237 10.90507 Infinity 0.735672 Infinity
33167
1071 pt 15.37541 16.88251 11.20371 Infinity 0.665104 Infinity
33168
1072 pt 18.29873 13.25479 20.01464 -Infinity 0.535758 -Infinity
33169
1073 pt 18.56623 15.10155 20.31293 Infinity 0.518101 Infinity
33170
1074 pt 19.95323 12.34986 20.13631 Infinity 0.520383 Infinity
33171
1075 pt 20.88558 8.61600 16.89172 -Infinity 0.563659 -Infinity
33172
1076 pt 21.94355 7.99195 15.45563 Infinity 0.566873 Infinity
33173
1077 pt 21.96532 9.60164 18.08911 Infinity 0.530833 Infinity
33174
1078 pt 10.59272 15.77113 19.59746 -Infinity 0.605103 -Infinity
33175
1079 pt 10.73962 17.64401 19.39297 Infinity 0.586953 Infinity
33176
1080 pt 11.68371 14.90919 18.31767 Infinity 0.626176 Infinity
33177
1081 pt 10.49782 8.34353 11.76116 -Infinity 0.911385 -Infinity
33178
1082 pt 11.20179 7.01541 12.90640 Infinity 0.862297 Infinity
33179
1083 pt 9.29399 9.43500 12.72581 Infinity 0.893573 Infinity
33185
1 a.u. = 0.171524 10**(-8) dyn/esu
33187
Atom X Y Z Electric field (a.u.)
33189
------------------------------------------------------------------------------------------------
33190
@ 6 -121.71375328 8.0E+01 0.00017 0.02630 0.00017
33191
Total number of active Bq charges 1083
33192
frozen_density,esp T T
33193
disabling frozen_density,esp due to active qm atoms
33199
ao basis = "ao basis"
33206
input vectors = /home/d3p975/codes/nwchem-svn/nwchem/QA/tests/tce_qmmm_ccsd_opt/perm/fmd.movecs
33207
output vectors = /home/d3p975/codes/nwchem-svn/nwchem/QA/tests/tce_qmmm_ccsd_opt/perm/fmd.movecs
33212
Summary of "ao basis" -> "ao basis" (cartesian)
33213
------------------------------------------------------------------------------
33214
Tag Description Shells Functions and Types
33215
---------------- ------------------------------ ------ ---------------------
33216
O cc-pVDZ 6 15 3s2p1d
33217
C cc-pVDZ 6 15 3s2p1d
33222
The SCF is already converged
33224
Total SCF energy = -113.914816816916
33226
NWChem Extensible Many-Electron Theory Module
33227
---------------------------------------------
33229
======================================================
33230
This portion of the program was automatically
33231
generated by a Tensor Contraction Engine (TCE).
33232
The development of this portion of the program
33233
and TCE was supported by US Department of Energy,
33234
Office of Science, Office of Basic Energy Science.
33235
TCE is a product of Battelle and PNNL.
33236
Please cite: S.Hirata, J.Phys.Chem.A 107, 9887 (2003).
33237
======================================================
33239
General Information
33240
-------------------
33241
Number of processors : 27
33242
Wavefunction type : Restricted Hartree-Fock
33243
No. of electrons : 16
33244
Alpha electrons : 8
33246
No. of orbitals : 80
33247
Alpha orbitals : 40
33249
Alpha frozen cores : 0
33250
Beta frozen cores : 0
33251
Alpha frozen virtuals : 0
33252
Beta frozen virtuals : 0
33253
Spin multiplicity : singlet
33254
Number of AO functions : 40
33255
Number of AO shells : 18
33256
Use of symmetry is : off
33257
Symmetry adaption is : off
33258
Schwarz screening : 0.00E+00
33260
Correlation Information
33261
-----------------------
33262
Calculation type : Coupled-cluster singles & doubles
33263
Perturbative correction : none
33264
Max iterations : 200
33265
Residual threshold : 0.10E-05
33266
T(0) DIIS level shift : 0.00E+00
33267
L(0) DIIS level shift : 0.00E+00
33268
T(1) DIIS level shift : 0.00E+00
33269
L(1) DIIS level shift : 0.00E+00
33270
T(R) DIIS level shift : 0.00E+00
33271
T(I) DIIS level shift : 0.00E+00
33272
CC-T/L Amplitude update : 5-th order DIIS
33273
I/O scheme : Global Array Library
33277
Available GA space size is 2654059007 doubles
33278
Available MA space size is 49130121 doubles
33280
Maximum block size supplied by input
33281
Maximum block size 12 doubles
33285
Block Spin Irrep Size Offset Alpha
33286
-------------------------------------------------
33287
1 alpha a 8 doubles 0 1
33288
2 beta a 8 doubles 8 1
33289
3 alpha a 10 doubles 16 3
33290
4 alpha a 11 doubles 26 4
33291
5 alpha a 11 doubles 37 5
33292
6 beta a 10 doubles 48 3
33293
7 beta a 11 doubles 58 4
33294
8 beta a 11 doubles 69 5
33296
Global array virtual files algorithm will be used
33298
Parallel file system coherency ......... OK
33300
#quartets = 1.471E+04 #integrals = 3.752E+05 #direct = 0.0% #cached =100.0%
33303
Integral file = /scratch/fmd.aoints.00
33304
Record size in doubles = 65536 No. of integs per rec = 43688
33305
Max. records in memory = 2 Max. records in file = 225827
33306
No. of bits per label = 8 No. of bits per value = 64
33309
File balance: exchanges= 0 moved= 0 time= 0.0
33312
Fock matrix recomputed
33313
1-e file size = 1600
33314
1-e file name = /scratch/fmd.f1
33315
Cpu & wall time / sec 0.1 0.1
33318
half-transformed integrals in memory
33320
2-e (intermediate) file size = 5769600
33321
2-e (intermediate) file name = /scratch/fmd.v2i
33322
Cpu & wall time / sec 0.1 0.1
33325
2-e integrals stored in memory
33327
2-e file size = 3566009
33328
2-e file name = /scratch/fmd.v2
33329
Cpu & wall time / sec 0.1 0.1
33330
T1-number-of-tasks 3
33333
t1 file name = /scratch/fmd.t1
33334
t1 file handle = -992
33335
T2-number-of-boxes 15
33337
t2 file size = 109248
33338
t2 file name = /scratch/fmd.t2
33339
t2 file handle = -989
33342
-----------------------------------------------------------------
33343
Iter Residuum Correlation Cpu Wall V2*C2
33344
-----------------------------------------------------------------
33345
1 0.1509945041819 -0.3224256614990 0.2 0.2 0.0
33346
2 0.0413685433223 -0.3291807454951 0.2 0.2 0.0
33347
3 0.0156234038200 -0.3360926758963 0.2 0.2 0.0
33348
4 0.0074727940956 -0.3371969968604 0.2 0.2 0.0
33349
5 0.0036692730008 -0.3379346302907 0.2 0.2 0.0
33350
MICROCYCLE DIIS UPDATE: 5 5
33351
6 0.0011728659117 -0.3383223166277 0.2 0.2 0.0
33352
7 0.0005818454313 -0.3383977074263 0.2 0.2 0.0
33353
8 0.0003058785327 -0.3384088023453 0.2 0.2 0.0
33354
9 0.0001832289246 -0.3384107850134 0.1 0.2 0.0
33355
10 0.0001068340494 -0.3384169204718 0.2 0.2 0.0
33356
MICROCYCLE DIIS UPDATE: 10 5
33357
11 0.0000186290469 -0.3384224998763 0.2 0.2 0.0
33358
12 0.0000101430832 -0.3384234680825 0.2 0.2 0.0
33359
13 0.0000073712444 -0.3384238631252 0.2 0.2 0.0
33360
14 0.0000056404305 -0.3384239361312 0.2 0.2 0.0
33361
15 0.0000043755040 -0.3384239653331 0.2 0.2 0.0
33362
MICROCYCLE DIIS UPDATE: 15 5
33363
16 0.0000006408292 -0.3384239118438 0.2 0.2 0.0
33364
-----------------------------------------------------------------
33365
Iterations converged
33366
CCSD correlation energy / hartree = -0.338423911843791
33367
CCSD total energy / hartree = -114.253240728760233
33369
Singles contributions
33371
Doubles contributions
33372
9a (alpha) 9a (beta ) --- 7a (alpha) 7a (beta ) -0.1173712150
33374
Parallel integral file used 27 records with 0 large values
33376
Bq nuclear interaction energy = 0.10325100298917687
33377
@------------------------------------------------------------------------
33379
@------------------------------------------------------------------------
33380
@ quantum energy -114.253240729 (-.299972E+06 kjoule/mol)
33381
@ quantum energy adjusted -114.253240729 (-.299972E+06 kjoule/mol)
33382
@ quantum energy internal -114.356491732 (-.300243E+06 kjoule/mol)
33383
@ Bq-nuclear energy 0.103251003 (0.271086E+03 kjoule/mol)
33384
@ Bq-electron energy 0.000000000 (0.000000E+00 kjoule/mol)
33385
@ classical energy -7.460614831 (-.195878E+05 kjoule/mol)
33386
@ total qmmm energy -121.713855560 (-.319560E+06 kjoule/mol)
33387
@------------------------------------------------------------------------
33389
@------------------------------------------------
33391
@ OPTIMIZATION FINISHED
33394
Task times cpu: 981.7s wall: 1101.5s
33397
NWChem Input Module
33398
-------------------
33401
Summary of allocated global arrays
33402
-----------------------------------
33403
No active global arrays
33407
GA Statistics for process 0
33408
------------------------------
33410
create destroy get put acc scatter gather read&inc
33411
calls: 4.29e+04 4.29e+04 9.27e+06 3.11e+06 1.26e+05 0 0 0
33412
number of processes/call 1.17e+00 1.03e+00 5.66e+00 0.00e+00 0.00e+00
33413
bytes total: 4.59e+10 3.34e+09 2.65e+09 0.00e+00 0.00e+00 0.00e+00
33414
bytes remote: 3.79e+10 3.12e+09 1.69e+09 0.00e+00 0.00e+00 0.00e+00
33415
Max memory consumed for GA by this process: 17396368 bytes
33417
MA_summarize_allocated_blocks: starting scan ...
33418
MA_summarize_allocated_blocks: scan completed: 0 heap blocks, 0 stack blocks
33419
MA usage statistics:
33421
allocation statistics:
33424
current number of blocks 0 0
33425
maximum number of blocks 67 166
33426
current total bytes 0 0
33427
maximum total bytes 394357224 738286464
33428
maximum total K-bytes 394358 738287
33429
maximum total M-bytes 395 739
33436
Please use the following acknowledgement where appropriate
33437
for results obtained with NWChem:
33439
High Performance Computational Chemistry Group, "NWChem, A
33440
Computational Chemistry Package for Parallel Computers,
33441
Version 5.1.1" (2008), Pacific Northwest National Laboratory,
33442
Richland, Washington 99352-0999, USA.
33448
Please use the following citation when publishing results
33449
obtained with NWChem:
33451
E. J. Bylaska, W. A. de Jong, N. Govind, K. Kowalski, T. P. Straatsma,
33452
M. Valiev, D. Wang, E. Apra, T. L. Windus, J. Hammond, J. Autschbach,
33453
P. Nichols, S. Hirata, M. T. Hackler, Y. Zhao, P.-D. Fan, R. J. Harrison,
33454
M. Dupuis, D. M. A. Smith, J. Nieplocha, V. Tipparaju, M. Krishnan,
33455
A. Vazquez-Mayagoitia, Q. Wu, T. Van Voorhis, A. A. Auer, M. Nooijen,
33456
L. D. Crosby, E. Brown, G. Cisneros, G. I. Fann, H. Fruchtl,
33457
J. Garza, K. Hirao, R. Kendall, J. A. Nichols, K. Tsemekhman
33458
K. Wolinski, J. Anchell, D. Bernholdt, P. Borowski, T. Clark,
33459
D. Clerc, H. Dachsel, M. Deegan, K. Dyall, D. Elwood, E. Glendening
33460
M. Gutowski, A. Hess, J. Jaffe, B. Johnson, J. Ju, R. Kobayashi,
33461
R. Kutteh, Z. Lin, R. Littlefield, X. Long, B. Meng, T. Nakajima,
33462
S. Niu, L. Pollack, M. Rosing, G. Sandrone, M. Stave, H. Taylor,
33463
G. Thomas, J. van Lenthe, A. Wong, and Z. Zhang,
33464
"NWChem, A Computational Chemistry Package for Parallel Computers,
33465
Version 5.1.1" (2008),
33466
Pacific Northwest National Laboratory,
33467
Richland, Washington 99352-0999, USA.
33471
Total times cpu: 981.8s wall: 1102.8s