1
# dhf-TZVP EMSL Basis Set Exchange Library 3/15/13 10:19 AM
4
# Rb Sr Y Zr Nb Mo Tc Ru Rh Pd Ag Cd In Sn Sb Te I Xe Cs Ba Hf Ta W Re Os Ir Pt Au Hg Tl Pb Bi Po At Rn: Florian Weigend and Alexander Baldes, Segmented contracted basis sets for one- and two-component Dirac?Fock effective core potentials, J. Chem. Phys. 133, 174102 (2010).
9
basis "Rb_dhf-TZVP" SPHERICAL
11
7.4744618040 0.26971657922
12
6.7296180594 -0.42652758235
14
2.7816640004 1.0000000
16
0.53452175148 1.0000000
18
0.22368793034 1.0000000
20
0.32410407052E-01 1.0000000
22
0.14171047424E-01 1.0000000
24
5.6720643194 0.44159389068E-01
25
3.3320183956 -0.17917552036
26
0.80150054910 0.43630668278
28
0.36302220227 1.0000000
30
0.15733924392 1.0000000
32
0.40000000000E-01 1.0000000
34
0.16000000000E-01 1.0000000
36
0.8000000 0.3200000000
37
0.25907866956 1.0000000000
39
0.42507438045E-01 1.0000000
41
0.11909276840E-01 1.0000000
45
basis "Sr_dhf-TZVP" SPHERICAL
47
20.000000000 -0.17049922921E-02
48
10.000000000 -0.18079653270
49
8.5000000000 0.32742827842
51
3.0057048856 1.0000000
53
0.61161287650 1.0000000
55
0.27393841217 1.0000000
57
0.57435564563E-01 1.0000000
59
0.23338198665E-01 1.0000000
61
20.557138301 0.12317975675E-02
62
7.5883077869 0.15286204912E-01
63
3.6731307392 -0.14247822183
64
0.90496618455 0.39434833689
66
0.43310256408 1.0000000
68
0.20222168964 1.0000000
70
0.72000000000E-01 1.0000000
72
0.25000000000E-01 1.0000000
74
3.6180810000 0.36543404295E-02
75
0.99665600000 0.11375323313
76
0.39073500000 0.27130845772
78
0.12277000000 1.0000000
80
0.36655000000E-01 1.0000000
84
basis "Y_dhf-TZVP" SPHERICAL
86
10.000000000 -0.17013635782
87
8.5000000000 0.35126526456
89
3.3653905454 1.0000000
91
0.68860679385 1.0000000
93
0.31191502936 1.0000000
95
0.70326042567E-01 1.0000000
97
0.27733859327E-01 1.0000000
99
9.1505283151 0.26569007552E-01
100
3.9853346750 -0.21148696329
101
1.0189966575 0.55070766400
103
0.49843561636 1.0000000
105
0.23307661842 1.0000000
107
0.80000000000E-01 1.0000000
109
0.27000000000E-01 1.0000000
111
11.300000000 0.12026765764E-03
112
4.5884439393 -0.21042543747E-02
113
1.1363234302 0.19591900392
114
0.45617043877 0.39995540301
116
0.17470950748 1.0000000
118
0.61978796638E-01 1.0000000
122
basis "Zr_dhf-TZVP" SPHERICAL
124
11.000000000 -0.18767989836
125
9.5000000000 0.35081177481
127
3.6383667759 1.0000000
129
0.76822026698 1.0000000
131
0.34036824036 1.0000000
133
0.75261298085E-01 1.0000000
135
0.30131404705E-01 1.0000000
137
9.0336621222 0.35362384710E-01
138
4.5382304686 -0.20582503313
139
1.1090818400 0.53135061603
141
0.54346076310 1.0000000
143
0.25022406048 1.0000000
145
0.85000000000E-01 1.0000000
147
0.29000000000E-01 1.0000000
149
20.000000000 0.12398488915E-02
150
7.0000000000 -0.43654048921E-02
151
1.2904939797 0.22552399206
152
0.51646987222 0.45375866406
154
0.19349797794 1.0000000
156
0.67309809967E-01 1.0000000
160
basis "Nb_dhf-TZVP" SPHERICAL
162
12.000000000 -0.19999214494
163
10.500000000 0.34732385321
165
3.9276062854 1.0000000
167
0.85976543258 1.0000000
169
0.39074087505 1.0000000
171
0.86387259879E-01 1.0000000
173
0.32906200326E-01 1.0000000
175
9.6266708079 0.38264114626E-01
176
4.9751006361 -0.20743560710
177
1.2222133320 0.51929866729
179
0.60390590312 1.0000000
181
0.27967675553 1.0000000
183
0.90000000000E-01 1.0000000
185
0.30000000000E-01 1.0000000
187
13.897652388 0.33453812554E-02
188
7.8342195578 -0.79405371199E-02
189
1.5663438480 0.20338152338
190
0.66952425826 0.42838675999
192
0.27140946867 1.0000000
194
0.10054426592 1.0000000
198
basis "Mo_dhf-TZVP" SPHERICAL
200
14.000000000 -0.22836327704
201
12.500000000 0.34484021607
203
4.0921501803 1.0000000
205
0.97053602586 1.0000000
207
0.44217620170 1.0000000
209
0.92915024334E-01 1.0000000
211
0.35016314389E-01 1.0000000
213
9.3952272483 0.63393966954E-01
214
5.6482532637 -0.23966584562
215
1.3201045600 0.55831480867
217
0.65494867461 1.0000000
219
0.30428197472 1.0000000
221
0.10000000000 1.0000000
223
0.33000000000E-01 1.0000000
225
17.700000000 0.27608843856E-02
226
8.2331755623 -0.10164171032E-01
227
1.7736823324 0.20843551996
228
0.76950591696 0.43506406250
230
0.31530878939 1.0000000
232
0.11754374390 1.0000000
236
basis "Tc_dhf-TZVP" SPHERICAL
238
15.000000000 -0.20497356066
239
12.910581694 0.35790309489
241
4.4493321158 1.0000000
243
1.0548409451 1.0000000
245
0.47909677246 1.0000000
247
0.99124162989E-01 1.0000000
249
0.36882799789E-01 1.0000000
251
12.384776786 0.49097059553E-01
252
5.6144496771 -0.34957849310
253
1.4870580805 0.86850835645
255
0.72934632066 1.0000000
257
0.33913558879 1.0000000
259
0.11000000000 1.0000000
261
0.35000000000E-01 1.0000000
263
20.100000000 0.22993024619E-02
264
8.2059084569 -0.11588919181E-01
265
2.0156178510 0.20721050118
266
0.88113887240 0.44273446898
268
0.36427094833 1.0000000
270
0.13678402297 1.0000000
274
basis "Ru_dhf-TZVP" SPHERICAL
276
16.000000000 -0.20394782657
277
13.910581694 0.33927497879
279
4.7967971407 1.0000000
281
1.1555425594 1.0000000
283
0.52455741182 1.0000000
285
0.10734572646 1.0000000
287
0.39432760192E-01 1.0000000
289
13.132450232 0.31766773353E-01
290
6.0614463855 -0.21596457680
291
1.6183945935 0.52748420468
293
0.79326493538 1.0000000
295
0.36707276865 1.0000000
297
0.11500000000 1.0000000
299
0.37000000000E-01 1.0000000
301
23.585529399 0.20433705286E-02
302
8.4380303766 -0.15635265449E-01
303
2.2483686294 0.21204601469
304
0.98376978359 0.44442278014
306
0.40379445583 1.0000000
308
0.14978618173 1.0000000
312
basis "Rh_dhf-TZVP" SPHERICAL
314
17.000000000 -0.16525939464
315
13.910581694 0.35222620108
317
5.2481265288 1.0000000
319
1.2262575928 1.0000000
321
0.53930216349 1.0000000
323
0.10130730377 1.0000000
325
0.37124139005E-01 1.0000000
327
13.858065316 0.44074430582E-01
328
6.5565568253 -0.28210751307
329
1.7420453790 0.68956909331
331
0.84321166133 1.0000000
333
0.38295544759 1.0000000
335
0.11500000000 1.0000000
337
0.37000000000E-01 1.0000000
339
21.930344638 0.34925078816E-02
340
10.341607732 -0.11687733761E-01
341
2.3034380805 0.23814866744
342
0.98882847639 0.43806664216
344
0.39066558415 1.0000000
346
0.13746354361 1.0000000
350
basis "Pd_dhf-TZVP" SPHERICAL
352
18.000000000 -0.16407607652
353
14.662134308 0.35325094164
355
5.6388709265 1.0000000
357
1.3198953252 1.0000000
359
0.57817908509 1.0000000
361
0.10352166239 1.0000000
363
0.37548442674E-01 1.0000000
365
14.309112016 0.42571324958E-01
366
7.0430224289 -0.24665218099
367
1.8814039648 0.58148486528
369
0.90737168760 1.0000000
371
0.40877210813 1.0000000
373
0.11500000000 1.0000000
375
0.37000000000E-01 1.0000000
377
21.691138245 0.44671494556E-02
378
9.7043934973 -0.17347288928E-01
379
2.5077095127 0.25185332130
380
1.0747359084 0.44327432091
382
0.42613842853 1.0000000
384
0.15046355385 1.0000000
388
basis "Ag_dhf-TZVP" SPHERICAL
390
19.000000000 -0.17074642766
391
15.428199933 0.34871551158
393
6.0553507268 1.0000000
395
1.4162368935 1.0000000
397
0.61758635858 1.0000000
399
0.10474197431 1.0000000
401
0.37685106264E-01 1.0000000
403
12.418786621 0.68702935059E-01
404
7.7952789138 -0.21452542382
405
2.0351571912 0.38110620688
407
0.98093914842 1.0000000
409
0.44451179958 1.0000000
411
0.13000000000 1.0000000
413
0.41200000000E-01 1.0000000
415
25.700042673 0.36661791550E-02
416
11.230073303 -0.13660002915E-01
417
2.7263753229 0.25193121271
418
1.1854609521 0.44390066430
420
0.47316910566 1.0000000
422
0.16746017986 1.0000000
426
basis "Cd_dhf-TZVP" SPHERICAL
428
20.000000000 -0.17823944467
429
16.309051661 0.36561433545
431
6.4512709901 1.0000000
433
1.5350047390 1.0000000
435
0.68983631523 1.0000000
437
0.13475720977 1.0000000
439
0.47416874527E-01 1.0000000
441
13.981034890 0.70089123587E-01
442
8.3114877755 -0.25556098458
443
2.1941503996 0.49379957616
445
1.0779246137 1.0000000
447
0.50111879846 1.0000000
449
0.16000000000 1.0000000
451
0.51600000000E-01 1.0000000
453
31.049645555 0.33284865119E-02
454
12.484011626 -0.11662713885E-01
455
3.0981185651 0.24599175009
456
1.3707139002 0.45211111372
458
0.56399409888 1.0000000
460
0.20916686535 1.0000000
464
basis "In_dhf-TZVP" SPHERICAL
466
847.79276774 0.12432052471E-03
467
72.041054824 0.23600367607E-02
468
41.061316522 -0.85588299453E-02
469
12.407609713 0.62952032489
471
11.640316941 1.5543429200
472
6.3695642727 0.67492488361
474
1.7063236353 1.0000000
476
0.78666967936 1.0000000
478
0.16965196873 1.0000000
480
0.62074858667E-01 1.0000000
482
268.28136685 0.11542193636E-03
483
14.781553782 0.77779830292E-01
484
8.8041476194 -0.28332389472
486
2.3717277227 0.47896111744
487
1.1927065422 0.48293819961
488
0.58352812041 0.16843883728
490
0.23280968310 1.0000000
492
0.88674065208E-01 1.0000000
494
0.33598828267E-01 1.0000000
496
94.282575063 0.43652729696E-03
497
19.716431102 0.63918753088
498
19.600106824 -0.64663115577
499
3.5643186737 0.21187579614
500
1.7017801400 0.42129321741
501
0.76456615531 0.38418127707
503
0.31826765584 1.0000000
505
0.10000000000 1.0000000
511
basis "Sn_dhf-TZVP" SPHERICAL
513
1577.0715931 0.17042767713E-03
514
235.26601078 0.81467057272E-03
515
38.206330645 -0.39057904293E-02
516
13.097031765 0.53245922343
518
11.681492759 1.5435287275
519
5.9647604361 0.76421510041
521
1.8891070740 1.0000000
523
0.88514080630 1.0000000
525
0.20500105152 1.0000000
527
0.76748551032E-01 1.0000000
529
221.55767496 0.31125177983E-03
530
21.084021433 0.31108097016E-01
531
8.7600138521 -0.27571560918
533
2.5912909722 0.45912328666
534
1.3426801157 0.49682867217
535
0.67732735829 0.18962377821
537
0.29418756752 1.0000000
539
0.11863762052 1.0000000
541
0.46215750632E-01 1.0000000
543
108.33210154 0.46561853277E-03
544
23.703936630 0.54063163067E-01
545
22.339843906 -0.58928768877E-01
546
4.0874834028 0.19588500896
547
1.9737354146 0.42301799185
548
0.90158257692 0.39252716176
550
0.38237153649 1.0000000
552
0.12000000000 1.0000000
554
0.2939284850 1.0000000
558
basis "Sb_dhf-TZVP" SPHERICAL
560
1612.4199933 0.28540380783E-03
561
238.84452097 0.13393778746E-02
562
23.998118809 -0.49388154574E-01
563
15.193124213 0.43392227254
565
11.736409733 0.92125519965
566
6.5259774794 0.79235280226
568
2.0247451872 1.0000000
570
0.97113418587 1.0000000
572
0.24254333998 1.0000000
574
0.92206608177E-01 1.0000000
576
215.68393354 0.26051823221E-03
577
16.374479088 0.73728000195E-01
578
9.7216283345 -0.27230028128
580
2.7982643154 0.46472692374
581
1.4711045033 0.50364242075
582
0.75165385301 0.18706666294
584
0.33168699849 1.0000000
586
0.13931606366 1.0000000
588
0.56399307526E-01 1.0000000
590
115.90312253 0.53140915051E-03
591
30.474233720 0.59411139166E-02
592
18.228418239 -0.10563706947E-01
593
4.3291456646 0.20348177341
594
2.1294818496 0.42748378928
595
0.99682636692 0.38539560809
597
0.43347239863 1.0000000
599
0.14000000000 1.0000000
605
basis "Te_dhf-TZVP" SPHERICAL
607
6213.2001650 0.17392073280E-03
608
920.89640017 0.11933589842E-02
609
199.28042708 0.36256556777E-02
610
24.774233098 -0.59791033012E-01
611
14.838199169 0.95943203263
613
12.278761954 0.75942429936
614
6.3807845532 0.35331689542
616
2.2228405205 1.0000000
618
1.0776043442 1.0000000
620
0.28136649025 1.0000000
622
0.10781573341 1.0000000
624
204.29400852 0.40605406751E-03
625
18.208759358 0.60255451613E-01
626
9.9211024302 -0.27491671277
628
3.1441528685 0.43154849974
629
1.7220884031 0.55403079110
630
0.89098945714 0.24087311227
632
0.39804719568 1.0000000
634
0.16538785242 1.0000000
636
0.65082695586E-01 1.0000000
638
121.51055249 0.63490629024E-03
639
32.968794396 0.61811936324E-02
640
19.249862451 -0.88929825218E-02
641
4.7198407254 0.20159884764
642
2.3428061416 0.42976049013
643
1.1135379412 0.38247126751
645
0.49200061510 1.0000000
647
0.16000000000 1.0000000
653
basis "I_dhf-TZVP" SPHERICAL
655
5899.5791533 0.24188269271E-03
656
898.54238765 0.15474041742E-02
657
200.37237912 0.42836684457E-02
658
31.418053840 -0.39417936275E-01
659
15.645987838 0.96086691992
661
11.815741857 0.57815778954
662
6.4614458287 0.37374293124
664
2.3838067579 1.0000000
666
1.1712089662 1.0000000
668
0.32115875757 1.0000000
670
0.12387919364 1.0000000
672
185.43362455 0.83127824000E-03
673
20.091408146 0.63991653000E-01
674
9.7577022390 -0.27791138000
676
13.068307912 -0.49793790382E-01
677
3.5818714205 0.38212490511
678
2.0282441852 0.70447564804
679
1.0181492146 0.33781067803
681
0.46673773115 1.0000000
683
0.19242597960 1.0000000
685
0.74508878495E-01 1.0000000
687
124.20341062 0.65671747209E-03
688
34.587311801 0.51648185674E-02
689
12.767328064 -0.19881371307E-01
690
4.7745100133 0.21386794109
691
2.4582209028 0.43405444707
692
1.1923708147 0.37850637882
694
0.52883971906 1.0000000
696
0.17008164307 1.0000000
702
basis "Xe_dhf-TZVP" SPHERICAL
704
6420.2481656 0.25092173886E-03
705
983.54530664 0.16251948178E-02
706
219.43881364 0.46037106451E-02
707
23.012587807 -0.14698707182
708
18.048324490 0.57524870348
710
11.752550163 0.66038420156
711
6.2390917199 0.38470524721
713
2.6257211320 1.0000000
715
1.2905042943 1.0000000
717
0.36204185060 1.0000000
719
0.14069888091 1.0000000
721
193.81432545 0.95394802497E-03
722
21.725228086 0.57393353332E-01
723
9.8891605641 -0.27974266640
725
13.960683826 -0.50950157807E-01
726
4.0928947097 0.36669211800
727
2.2546815460 0.72619456861
728
1.1546596184 0.35555871740
730
0.52321923128 1.0000000
732
0.21945569800 1.0000000
734
0.86158996836E-01 1.0000000
736
135.60300038 0.81873543290E-03
737
38.727062692 0.60897654151E-02
738
15.377328089 -0.92782985596E-02
739
5.2602537686 0.22890785589
740
2.6590627424 0.44434407051
741
1.2938205124 0.36029482992
743
0.58050830139 1.0000000
745
0.18000000000 1.0000000
751
basis "Cs_dhf-TZVP" SPHERICAL
753
5.8778113443 0.12782201133
754
4.3631538286 -0.34618513255
755
1.8048475155 0.70358543418
757
0.37485237136 1.0000000
759
0.16384858778 1.0000000
761
0.27230462048E-01 1.0000000
763
0.11991533212E-01 1.0000000
767
4.2751856154 0.45723591918E-01
768
1.9656663360 -0.25027497074
769
0.47689195212 0.55587710354
771
0.21529749588 1.0000000
773
0.91450850296E-01 1.0000000
775
0.17592078473E-01 1.0000000
777
0.27941471548 1.0000000
779
0.62419809739E-01 1.0000000
781
0.15987870156E-01 1.0000000
788
basis "Ba_dhf-TZVP" SPHERICAL
790
5.7000000000 -0.52447767129
791
5.2043612469 0.70092354637
792
2.4053149919 0.87397541128
794
2.1451943914 1.0000000
796
0.41486174100 1.0000000
798
0.19214757016 1.0000000
800
0.48465890337E-01 1.0000000
802
0.20138298948E-01 1.0000000
804
5.5000000000 0.60831770069E-01
805
4.9017938336 -0.63284716561E-01
806
2.5715250637 -3.0800107636
807
2.6142685062 2.9079718598
809
0.47903394983 1.0000000
811
0.19415138747 1.0000000
813
0.34917622027E-01 1.0000000
815
0.16320065666E-01 1.0000000
817
0.96631500000 -0.38128634389
818
0.89382800000 0.46616787237
819
0.27319500000 0.34754521238
821
0.10389100000 1.0000000
823
0.35578000000E-01 1.0000000
830
basis "Hf_dhf-TZVP" SPHERICAL
832
24.000000000 0.22105582070
833
16.000000000 -3.5812539434
834
14.400000000 4.2538249256
835
10.304504667 -0.69586365081
837
3.7930173975 1.0000000
839
1.0189877143 1.0000000
841
0.45985511458 1.0000000
843
0.92752376673E-01 1.0000000
845
0.35718747396E-01 1.0000000
847
22.353629203 -0.74529620838E-02
848
8.7403508095 0.15635970402
849
4.8501567161 -0.44869151461
851
1.2573944258 1.0000000
853
0.61115481502 1.0000000
855
0.26740341018 1.0000000
857
0.65000000000E-01 1.0000000
859
8.0559644562 0.96734715928E-02
860
4.3420511504 -0.54567079465E-01
861
1.1836909211 0.19687724953
862
0.51336795676 0.40004510632
864
0.20546727725 1.0000000
866
0.73669893882E-01 1.0000000
870
basis "Ta_dhf-TZVP" SPHERICAL
872
24.473650944 0.25035108815
873
18.721372549 -0.85456668089
874
11.500000000 3.5333106192
875
10.350000000 -2.7919577177
877
3.7793658231 1.0000000
879
1.1184570488 1.0000000
881
0.50385424438 1.0000000
883
0.10340974710 1.0000000
885
0.39154754640E-01 1.0000000
887
18.270714541 -0.68710552225E-01
888
10.055220364 0.51362842334
889
5.0278760583 -1.4890697965
891
1.2488904934 1.0000000
893
0.59456513937 1.0000000
895
0.26177351800 1.0000000
897
0.65000000000E-01 1.0000000
899
15.346965667 0.33754239693E-02
900
3.9738796278 -0.66125480059E-01
901
1.4528884813 0.17923632276
902
0.61042908544 0.44087337990
904
0.23897314770 1.0000000
906
0.86779694938E-01 1.0000000
910
basis "W_dhf-TZVP" SPHERICAL
912
30.000000000 0.33646094896
913
27.000000000 -0.47323259360
914
13.078045684 0.39654129081
916
4.4866821998 1.0000000
918
1.0676733497 1.0000000
920
0.49550863083 1.0000000
922
0.11256119066 1.0000000
924
0.41497932182E-01 1.0000000
926
18.604377714 -0.19980897234E-01
927
11.534117568 0.94830355989E-01
928
5.1586217658 -0.28992519848
930
1.3495269329 1.0000000
932
0.65032454901 1.0000000
934
0.28505684037 1.0000000
936
0.65000000000E-01 1.0000000
938
7.9566935938 0.19932954326E-01
939
4.9753774027 -0.80010753581E-01
940
1.3171445938 0.26394386420
941
0.57153508541 0.44246824709
943
0.23942399163 1.0000000
945
0.91746167038E-01 1.0000000
949
basis "Re_dhf-TZVP" SPHERICAL
951
30.000000000 0.32736959901
952
27.000000000 -0.46770504464
953
13.078045684 0.44300386653
955
4.7381866484 1.0000000
957
1.0979652393 1.0000000
959
0.50783195067 1.0000000
961
0.12110370400 1.0000000
963
0.43982739576E-01 1.0000000
965
18.000000000 -0.26125487417E-01
966
12.318606250 0.98014768659E-01
967
5.3719234505 -0.30094548401
969
1.3583884199 1.0000000
971
0.64649515864 1.0000000
973
0.28522146104 1.0000000
975
0.70000000000E-01 1.0000000
977
8.2382690889 0.23870789207E-01
978
5.5663143610 -0.75864095756E-01
979
1.3871105497 0.27418289344
980
0.62324027854 0.44465089921
982
0.26584392576 1.0000000
984
0.10334100901 1.0000000
988
basis "Os_dhf-TZVP" SPHERICAL
990
30.000000000 0.33141866297
991
27.000000000 -0.48200100744
992
13.524730005 0.46488084495
994
4.9499564865 1.0000000
996
1.1513700273 1.0000000
998
0.53139802369 1.0000000
1000
0.13011178043 1.0000000
1002
0.46817470581E-01 1.0000000
1004
18.505166000 0.26098871187E-01
1005
12.784506964 -0.10138659502
1006
5.5458290420 0.33424024154
1008
1.4290955836 1.0000000
1010
0.67620099294 1.0000000
1012
0.29078367898 1.0000000
1014
0.52000000000E-01 1.0000000
1016
8.2945059487 0.76753750464E-01
1017
6.3060397430 -0.17425532033
1018
1.4890109110 0.55170115614
1019
0.67315390607 0.88656469017
1021
0.28539893892 1.0000000
1023
0.11021318859 1.0000000
1027
basis "Ir_dhf-TZVP" SPHERICAL
1029
30.000000000 0.31200447363
1030
27.000000000 -0.46456771410
1031
13.961973911 0.46858576256
1033
5.1540551357 1.0000000
1035
1.2159100117 1.0000000
1037
0.56020154365 1.0000000
1039
0.13865602591 1.0000000
1041
0.49486178090E-01 1.0000000
1043
30.895152000 -0.61444524648E-02
1044
11.397688000 0.16084036063
1045
5.8657638761 -0.61059993342
1047
1.5022395985 1.0000000
1049
0.71375872878 1.0000000
1051
0.30778942275 1.0000000
1053
0.56000000000E-01 1.0000000
1055
10.091474036 0.15157882873E-01
1056
6.2257771610 -0.64560142244E-01
1057
1.5808379663 0.29126033930
1058
0.71827834905 0.44274933861
1060
0.30863178248 1.0000000
1062
0.11970185848 1.0000000
1066
basis "Pt_dhf-TZVP" SPHERICAL
1068
30.000000000 0.27425994299
1069
27.000000000 -0.42037214898
1070
14.408318564 0.44313561549
1072
5.3630116599 1.0000000
1074
1.2905323095 1.0000000
1076
0.58662989948 1.0000000
1078
0.13790102055 1.0000000
1080
0.49321911358E-01 1.0000000
1082
24.973417000 -0.34341197521E-02
1083
12.162265685 0.49482463995E-01
1084
6.1161212339 -0.18543134640
1086
1.5737435708 1.0000000
1088
0.74365838375 1.0000000
1090
0.31942317854 1.0000000
1092
0.57000000000E-01 1.0000000
1094
10.178295702 0.17335728527E-01
1095
6.6286436520 -0.63950014994E-01
1096
1.6570410639 0.30095098211
1097
0.73943569960 0.44582511233
1099
0.30537179836 1.0000000
1101
0.11345495014 1.0000000
1105
basis "Au_dhf-TZVP" SPHERICAL
1107
30.000000000 0.20199617249
1108
27.000000000 -0.32928957373
1109
14.746824331 0.40585528600
1111
5.6091587912 1.0000000
1113
1.3643634132 1.0000000
1115
0.61656895887 1.0000000
1117
0.13995954313 1.0000000
1119
0.49334580278E-01 1.0000000
1121
24.708233346 -0.61870876857E-02
1122
12.351765722 0.86828980159E-01
1123
6.4227368205 -0.30464846393
1125
1.6582165111 1.0000000
1127
0.78113181540 1.0000000
1129
0.33105069878 1.0000000
1131
0.45000000000E-01 1.0000000
1133
10.620604032 0.20561850202E-01
1134
7.0985987156 -0.69876065811E-01
1135
1.7746496789 0.30533062224
1136
0.79960541055 0.44810704955
1138
0.33293576596 1.0000000
1140
0.12447224161 1.0000000
1144
basis "Hg_dhf-TZVP" SPHERICAL
1146
48.013786990 0.58613168385E-02
1147
21.239875095 -0.17590367988
1148
15.876100879 0.35780354753
1150
5.4837607070 1.0000000
1152
1.5480592128 1.0000000
1154
0.72425230437 1.0000000
1156
0.16369906863 1.0000000
1158
0.57211615334E-01 1.0000000
1160
23.291760168 -0.83564430982E-02
1161
13.028969569 0.83703058587E-01
1162
6.5100040792 -0.31023833705
1164
1.8167935815 1.0000000
1166
0.90079391013 1.0000000
1168
0.41304090835 1.0000000
1170
0.11845879331 1.0000000
1172
0.36084184656E-01 1.0000000
1174
15.176302343 0.60654575178E-02
1175
6.7004896493 -0.59880306300E-01
1176
1.9144256118 0.31411145584
1177
0.88641552102 0.45081091161
1179
0.38364767725 1.0000000
1181
0.14936891490 1.0000000
1185
basis "Tl_dhf-TZVP" SPHERICAL
1187
729.65038145 0.13672829828E-03
1188
46.665548707 0.60443439951E-02
1189
20.970448726 -0.20022066697
1190
14.149588677 0.40801678488
1192
20.730134285 -0.71861135918E-01
1193
6.1527631309 0.98057508445
1195
1.5757324480 1.0000000
1197
0.74980169458 1.0000000
1199
0.19536816194 1.0000000
1201
0.70878767298E-01 1.0000000
1203
15.383852616 0.61717949180
1204
14.814929544 -0.72859235151
1205
6.7261253658 0.40438195364
1207
1.9626182149 0.43157661160
1208
1.0331857851 0.39230403853
1209
0.53837445996 0.14007406820
1211
0.24446611676 1.0000000
1213
0.90785377260E-01 1.0000000
1215
0.33401321498E-01 1.0000000
1217
57.606819928 0.16054811114E-03
1218
9.7368866667 0.24456562496E-01
1219
6.9256201679 -0.69914775031E-01
1220
2.1396230731 0.19496269490
1221
1.0836187110 0.29731629705
1222
0.52356298209 0.23728708102
1224
0.23842309375 1.0000000
1226
0.95000000000E-01 1.0000000
1232
basis "Pb_dhf-TZVP" SPHERICAL
1234
591.61124370 0.22126521076E-03
1235
46.757232559 0.56961959130E-02
1236
20.746462696 -0.21374063831
1237
14.610796419 0.40502620616
1239
20.222637612 -0.83541883299E-01
1240
6.4767324865 0.97910892388
1242
1.6600600927 1.0000000
1244
0.80431655001 1.0000000
1246
0.22627039020 1.0000000
1248
0.84014530665E-01 1.0000000
1250
15.189102118 0.61952303583
1251
14.693144415 -0.72498497086
1252
6.8705890048 0.37680007984
1254
2.2021426123 0.40196284806
1255
1.2209125119 0.46058131862
1256
0.63367559815 0.19367655397
1258
0.28202837058 1.0000000
1260
0.11333375666 1.0000000
1262
0.43948707430E-01 1.0000000
1264
61.315369628 0.33870800787E-03
1265
12.372195840 0.13788683942E-01
1266
6.9254944983 -0.75979608103E-01
1267
2.3319539939 0.28113784298
1268
1.2108730003 0.44474512269
1269
0.60090478506 0.35326874351
1271
0.28135869813 1.0000000
1273
0.11500000000 1.0000000
1279
basis "Bi_dhf-TZVP" SPHERICAL
1281
716.41435310 0.31254307133E-03
1282
83.806059047 0.17624768946E-02
1283
21.116962853 -0.21910983437
1284
15.491448187 0.40411224931
1286
23.239855029 -0.68255758685E-01
1287
6.6474255000 0.97888046471
1289
1.7617744005 1.0000000
1291
0.87252866000 1.0000000
1293
0.25618895997 1.0000000
1295
0.97073913006E-01 1.0000000
1297
15.249644669 0.74560356000
1298
14.846176053 -0.85578637338
1299
7.0636826784 0.40149159592
1301
2.5881255616 0.35542729633
1302
1.5020208499 0.63976991890
1303
0.76732724388 0.32332773839
1305
0.32797648982 1.0000000
1307
0.13820335991 1.0000000
1309
0.55137330969E-01 1.0000000
1311
66.404481948 0.38102878348E-03
1312
13.858426961 0.10746152442E-01
1313
7.0654519000 -0.71947646845E-01
1314
2.5252144035 0.26195974989
1315
1.3419585000 0.42594750000
1316
0.68340941000 0.33680325627
1318
0.32934755420 1.0000000
1320
0.14000000000 1.0000000
1326
basis "Po_dhf-TZVP" SPHERICAL
1328
6744.8211765 0.76891556363E-04
1329
744.41892532 0.71284827354E-03
1330
131.04029309 0.22057583958E-02
1331
19.662021030 -0.64364713744
1332
16.623025609 0.91997150546
1334
23.094002965 -0.70404410177E-01
1335
6.9707398381 0.97886540086
1337
1.8497377593 1.0000000
1339
0.93082999263 1.0000000
1341
0.28673026462 1.0000000
1343
0.10979212169 1.0000000
1345
253.99024497 0.83876362116E-04
1346
9.8712718748 0.24572710458
1347
7.4489893496 -0.44297763661
1349
8.9027395407 -0.13798250445
1350
5.7414667465 0.26304005326
1351
1.9896329823 0.66225846161
1352
0.94703210822 0.39547051892
1354
0.37071136280 1.0000000
1356
0.15554706086 1.0000000
1358
0.61173720818E-01 1.0000000
1360
67.943077046 0.48919125336E-03
1361
14.914219894 0.10157120776E-01
1362
7.2973948305 -0.69943263066E-01
1363
2.6826784400 0.26244730680
1364
1.4374143009 0.42702361494
1365
0.73903797417 0.32502435477
1367
0.35838153281 1.0000000
1369
0.15000000000 1.0000000
1375
basis "At_dhf-TZVP" SPHERICAL
1377
3635.9809356 0.12571463494E-03
1378
537.64129823 0.75950883820E-03
1379
91.600030756 0.25790982348E-02
1380
20.200005804 -0.54772187699
1381
16.893873824 0.78417507786
1383
18.177216938 -0.13023627002
1384
7.2317852082 0.96473566747
1386
1.9496199739 1.0000000
1388
0.99226695236 1.0000000
1390
0.31957178881 1.0000000
1392
0.12342539809 1.0000000
1394
216.81518928 0.16975297090E-03
1395
10.592298115 0.22683755793
1396
7.4596585430 -0.47336848377
1398
8.9484156471 -0.15012953475
1399
5.9694592464 0.27048141788
1400
2.1099088209 0.63671217722
1401
1.0236370373 0.38057472615
1403
0.42186356565 1.0000000
1405
0.17757132268 1.0000000
1407
0.69670886939E-01 1.0000000
1409
70.619633393 0.59974022914E-03
1410
16.212096478 0.93445952839E-02
1411
7.3607401479 -0.70748413897E-01
1412
2.9309052592 0.24037366077
1413
1.6085414823 0.41841372624
1414
0.84194162715 0.32832651044
1416
0.41335677957 1.0000000
1418
0.17400000000 1.0000000
1424
basis "Rn_dhf-TZVP" SPHERICAL
1426
5187.7442468 0.16097034848E-03
1427
768.14491207 0.10508214789E-02
1428
159.35182065 0.27375438093E-02
1429
21.863432724 -0.55045904905
1430
18.388689978 0.78321373922
1432
24.816226448 -0.82636797204E-01
1433
7.2923301677 1.0926256000
1435
2.0850437166 1.0000000
1437
1.0915245945 1.0000000
1439
0.34915708428 1.0000000
1441
0.13648422952 1.0000000
1443
194.68918723 0.26265814046E-03
1444
11.210013525 0.19952302621
1445
7.5298316489 -0.45994479561
1447
9.0845000304 -0.23093917426
1448
6.2631489717 0.39747614192
1449
2.2545193734 0.83026693838
1450
1.1180666918 0.51467013112
1452
0.47444492594 1.0000000
1454
0.20172354616 1.0000000
1456
0.79503144392E-01 1.0000000
1458
75.302723665 0.73590238429E-03
1459
17.965913830 0.89490827389E-02
1460
7.3741298033 -0.76641663693E-01
1461
3.2296258578 0.22975404602
1462
1.7937840508 0.43991495311
1463
0.94633319732 0.35259395198
1465
0.46860482223 1.0000000
1467
0.20000000000 1.0000000
1473
ASSOCIATED_ECP "dhf-ecp"
1474
# Elements References
1475
# -------- ----------
1476
# 4d: K.A. Peterson, D. Figgen, M. Dolg, H. Stoll, J. Chem. Phys. 126, 124101 (2007).
1477
# 5d: D. Figgen, K.A. Peterson, M. Dolg, H. Stoll, J. Chem. Phys. 130, 164108 (2009).
1478
# Rb,Cs: I.S. Lim, P. Schwerdtfeger, B. Metz, H. Stoll, J. Chem. Phys. 122, 104103 (2005).
1479
# Sr,Ba: I.S. Lim, H. Stoll, P. Schwerdtfeger, J. Chem. Phys. 124, 034107 (2006).