1
# may-cc-pV(Q+d)Z EMSL Basis Set Exchange Library 3/15/13 10:17 AM
4
# H-Ar: Ewa Papajak and Donald G. Truhlar, Convergent Partially Augmented Basis Sets for Post-Hartree?Fock Calculations of Molecular Properties and Reaction Barrier Heights, J. Chem. Theory Comput. 7, 10-18 (2011).
5
# H, Li-Ne: T.H. Dunning, Jr., J. Chem. Phys. 90, 1007 (1989).
6
# He: D.E. Woon and T.H. Dunning, Jr., J. Chem. Phys. 100, 2975 (1994).
7
# Li - Ne: T.H. Dunning, Jr., J. Chem. Phys. 90, 1007 (1989).
8
# B - F: R.A. Kendall, T.H. Dunning, Jr. and R.J. Harrison, J. Chem. Phys. 96, 6796 (1992).
9
# H-Ar: E. Papajak, D. G. Truhlar, J. Chem. Theory Comput. 597, 597 (2010).
10
# Al - Ar: D.E. Woon and T.H. Dunning, Jr., J. Chem. Phys. 98, 1358 (1993).
11
# Al - Ar: T.H. Dunning, Jr., K.A. Peterson and A.K. Wilson, J. Chem. Phys. 114, 9244 (2001).
16
basis "H_may-cc-pV(Q+d)Z" SPHERICAL
40
basis "He_may-cc-pV(Q+d)Z" SPHERICAL
65
basis "Li_may-cc-pV(Q+d)Z" SPHERICAL
67
6601.0000000 0.0001170 -0.0000180
68
989.7000000 0.0009110 -0.0001420
69
225.7000000 0.0047280 -0.0007410
70
64.2900000 0.0191970 -0.0030200
71
21.1800000 0.0630470 -0.0101230
72
7.7240000 0.1632080 -0.0270940
73
3.0030000 0.3148270 -0.0573590
74
1.2120000 0.3939360 -0.0938950
75
0.4930000 0.1969180 -0.1210910
111
basis "Be_may-cc-pV(Q+d)Z" SPHERICAL
113
14630.0000000 0.0000920 -0.0000170
114
2191.0000000 0.0007130 -0.0001300
115
498.2000000 0.0037350 -0.0006790
116
140.9000000 0.0154680 -0.0028570
117
45.8600000 0.0528740 -0.0098130
118
16.4700000 0.1456940 -0.0286090
119
6.3190000 0.3026810 -0.0637600
120
2.5350000 0.4049360 -0.1172310
121
1.0350000 0.2223870 -0.1212020
157
basis "B_may-cc-pV(Q+d)Z" SPHERICAL
159
23870.0000000 0.0000880 -0.0000180
160
3575.0000000 0.0006870 -0.0001390
161
812.8000000 0.0036000 -0.0007250
162
229.7000000 0.0149490 -0.0030630
163
74.6900000 0.0514350 -0.0105810
164
26.8100000 0.1433020 -0.0313650
165
10.3200000 0.3009350 -0.0710120
166
4.1780000 0.4035260 -0.1321030
167
1.7270000 0.2253400 -0.1230720
203
basis "C_may-cc-pV(Q+d)Z" SPHERICAL
205
33980.0000000 0.0000910 -0.0000190
206
5089.0000000 0.0007040 -0.0001510
207
1157.0000000 0.0036930 -0.0007850
208
326.6000000 0.0153600 -0.0033240
209
106.1000000 0.0529290 -0.0115120
210
38.1100000 0.1470430 -0.0341600
211
14.7500000 0.3056310 -0.0771730
212
6.0350000 0.3993450 -0.1414930
213
2.5300000 0.2170510 -0.1180190
249
basis "N_may-cc-pV(Q+d)Z" SPHERICAL
251
45840.0000000 0.0000920 -0.0000200
252
6868.0000000 0.0007170 -0.0001590
253
1563.0000000 0.0037490 -0.0008240
254
442.4000000 0.0155320 -0.0034780
255
144.3000000 0.0531460 -0.0119660
256
52.1800000 0.1467870 -0.0353880
257
20.3400000 0.3046630 -0.0800770
258
8.3810000 0.3976840 -0.1467220
259
3.5290000 0.2176410 -0.1163600
295
basis "O_may-cc-pV(Q+d)Z" SPHERICAL
297
61420.0000000 0.0000900 -0.0000200
298
9199.0000000 0.0006980 -0.0001590
299
2091.0000000 0.0036640 -0.0008290
300
590.9000000 0.0152180 -0.0035080
301
192.3000000 0.0524230 -0.0121560
302
69.3200000 0.1459210 -0.0362610
303
26.9700000 0.3052580 -0.0829920
304
11.1000000 0.3985080 -0.1520900
305
4.6820000 0.2169800 -0.1153310
341
basis "F_may-cc-pV(Q+d)Z" SPHERICAL
343
74530.0000000 0.0000950 -0.0000220
344
11170.0000000 0.0007380 -0.0001720
345
2543.0000000 0.0038580 -0.0008910
346
721.0000000 0.0159260 -0.0037480
347
235.9000000 0.0542890 -0.0128620
348
85.6000000 0.1495130 -0.0380610
349
33.5500000 0.3082520 -0.0862390
350
13.9300000 0.3948530 -0.1558650
351
5.9150000 0.2110310 -0.1109140
387
basis "Ne_may-cc-pV(Q+d)Z" SPHERICAL
389
99920.0000000 0.0000860 -0.0000200
390
14960.0000000 0.0006690 -0.0001580
391
3399.0000000 0.0035180 -0.0008240
392
958.9000000 0.0146670 -0.0035000
393
311.2000000 0.0509620 -0.0122330
394
111.7000000 0.1437440 -0.0370170
395
43.3200000 0.3045620 -0.0861130
396
17.8000000 0.4001050 -0.1583810
397
7.5030000 0.2186440 -0.1142880
433
basis "Na_may-cc-pV(Q+d)Z" SPHERICAL
435
1224000.0000000 0.478894D-05 -0.116958D-05 0.175871D-06
436
183200.0000000 0.372395D-04 -0.909110D-05 0.136594D-05
437
41700.0000000 0.195831D-03 -0.478499D-04 0.719795D-05
438
11810.0000000 0.826698D-03 -0.201962D-03 0.303349D-04
439
3853.0000000 0.300251D-02 -0.735837D-03 0.110752D-03
440
1391.0000000 0.970310D-02 -0.238746D-02 0.358596D-03
441
542.5000000 0.282337D-01 -0.704969D-02 0.106272D-02
442
224.9000000 0.732058D-01 -0.187856D-01 0.282687D-02
443
97.9300000 0.162897D+00 -0.446153D-01 0.676742D-02
444
44.3100000 0.288708D+00 -0.897741D-01 0.136480D-01
445
20.6500000 0.346829D+00 -0.142940D+00 0.222814D-01
446
9.7290000 0.206865D+00 -0.124315D+00 0.196011D-01
447
4.2280000 0.328009D-01 0.999648D-01 -0.167708D-01
448
1.9690000 -0.647736D-03 0.417080D+00 -0.773734D-01
449
0.8890000 0.145878D-02 0.475123D+00 -0.113501D+00
450
0.3964000 -0.178346D-03 0.163268D+00 -0.139130D+00
460
413.4000000 0.908196D-03 -0.901741D-04
461
97.9800000 0.741773D-02 -0.739342D-03
462
31.3700000 0.357464D-01 -0.357309D-02
463
11.6200000 0.118520D+00 -0.120142D-01
464
4.6710000 0.261403D+00 -0.267178D-01
465
1.9180000 0.378395D+00 -0.392753D-01
466
0.7775000 0.334632D+00 -0.376083D-01
467
0.3013000 0.126844D+00 -0.433228D-01
468
0.2275000 -0.147117D-01 0.518003D-01
492
basis "Mg_may-cc-pV(Q+d)Z" SPHERICAL
494
327600.0000000 0.309608D-04 -0.783173D-05 0.150908D-05
495
49050.0000000 0.240954D-03 -0.607935D-04 0.117134D-04
496
11150.0000000 0.126660D-02 -0.321197D-03 0.618980D-04
497
3152.0000000 0.533359D-02 -0.134955D-02 0.260088D-03
498
1025.0000000 0.190770D-01 -0.490570D-02 0.946218D-03
499
368.8000000 0.588058D-01 -0.153561D-01 0.296595D-02
500
143.2000000 0.151454D+00 -0.423409D-01 0.821245D-02
501
58.9600000 0.300716D+00 -0.940603D-01 0.183977D-01
502
25.4000000 0.381149D+00 -0.163425D+00 0.326657D-01
503
11.1500000 0.213584D+00 -0.124754D+00 0.257315D-01
504
4.0040000 0.231210D-01 0.235623D+00 -0.535351D-01
505
1.7010000 -0.230757D-02 0.577563D+00 -0.156895D+00
506
0.7060000 0.128900D-02 0.335232D+00 -0.206659D+00
516
539.6000000 0.833969D-03 -0.132076D-03
517
127.9000000 0.689215D-02 -0.109538D-02
518
41.0200000 0.337874D-01 -0.539495D-02
519
15.2500000 0.114401D+00 -0.185572D-01
520
6.1660000 0.259514D+00 -0.427375D-01
521
2.5610000 0.385095D+00 -0.647684D-01
522
1.0600000 0.335373D+00 -0.627818D-01
523
0.4176000 0.110641D+00 -0.244912D-01
524
0.2690000 -0.121315D-01 0.104761D+00
548
basis "Al_may-cc-pV(Q+d)Z" SPHERICAL
550
419600.0000000 0.278219D-04 -0.723754D-05 0.167150D-05
551
62830.0000000 0.216330D-03 -0.561733D-04 0.129641D-04
552
14290.0000000 0.113754D-02 -0.296528D-03 0.685101D-04
553
4038.0000000 0.479635D-02 -0.124913D-02 0.288274D-03
554
1312.0000000 0.172389D-01 -0.455101D-02 0.105276D-02
555
470.5000000 0.538066D-01 -0.144393D-01 0.333878D-02
556
181.8000000 0.141326D+00 -0.403464D-01 0.939217D-02
557
74.4600000 0.289268D+00 -0.922618D-01 0.216047D-01
558
31.9000000 0.384825D+00 -0.164510D+00 0.395873D-01
559
13.9600000 0.232852D+00 -0.141296D+00 0.349180D-01
560
5.1800000 0.293330D-01 0.195365D+00 -0.528415D-01
561
2.2650000 -0.300574D-02 0.572475D+00 -0.191878D+00
562
0.9664000 0.166673D-02 0.374041D+00 -0.254115D+00
572
891.3000000 0.491755D-03 -0.888695D-04
573
211.3000000 0.415843D-02 -0.745823D-03
574
68.2800000 0.212538D-01 -0.387025D-02
575
25.7000000 0.764058D-01 -0.139350D-01
576
10.6300000 0.194277D+00 -0.366860D-01
577
4.6020000 0.334428D+00 -0.627797D-01
578
2.0150000 0.375026D+00 -0.789602D-01
579
0.8706000 0.204041D+00 -0.288589D-01
605
basis "Si_may-cc-pV(Q+d)Z" SPHERICAL
607
513000.0000000 0.260920D-04 -0.694880D-05 0.178068D-05
608
76820.0000000 0.202905D-03 -0.539641D-04 0.138148D-04
609
17470.0000000 0.106715D-02 -0.284716D-03 0.730005D-04
610
4935.0000000 0.450597D-02 -0.120203D-02 0.307666D-03
611
1602.0000000 0.162359D-01 -0.438397D-02 0.112563D-02
612
574.1000000 0.508913D-01 -0.139776D-01 0.358435D-02
613
221.5000000 0.135155D+00 -0.393516D-01 0.101728D-01
614
90.5400000 0.281292D+00 -0.914283D-01 0.237520D-01
615
38.7400000 0.385336D+00 -0.165609D+00 0.443483D-01
616
16.9500000 0.245651D+00 -0.152505D+00 0.419041D-01
617
6.4520000 0.343145D-01 0.168524D+00 -0.502504D-01
618
2.8740000 -0.334884D-02 0.569284D+00 -0.216578D+00
619
1.2500000 0.187625D-02 0.398056D+00 -0.286448D+00
629
1122.0000000 0.448143D-03 -0.964883D-04
630
266.0000000 0.381639D-02 -0.811971D-03
631
85.9200000 0.198105D-01 -0.430087D-02
632
32.3300000 0.727017D-01 -0.157502D-01
633
13.3700000 0.189839D+00 -0.429541D-01
634
5.8000000 0.335672D+00 -0.752574D-01
635
2.5590000 0.379365D+00 -0.971446D-01
636
1.1240000 0.201193D+00 -0.227507D-01
662
basis "P_may-cc-pV(Q+d)Z" SPHERICAL
664
615200.0000000 0.247450D-04 -0.672205D-05 0.184740D-05
665
92120.0000000 0.192465D-03 -0.522311D-04 0.143380D-04
666
20950.0000000 0.101202D-02 -0.275361D-03 0.757228D-04
667
5920.0000000 0.427261D-02 -0.116307D-02 0.319205D-03
668
1922.0000000 0.154161D-01 -0.424281D-02 0.116851D-02
669
688.0000000 0.485976D-01 -0.136114D-01 0.374267D-02
670
265.0000000 0.130060D+00 -0.385114D-01 0.106817D-01
671
108.2000000 0.274514D+00 -0.906643D-01 0.252657D-01
672
46.2200000 0.385402D+00 -0.166584D+00 0.479283D-01
673
20.2300000 0.255934D+00 -0.161447D+00 0.477096D-01
674
7.8590000 0.391237D-01 0.146781D+00 -0.466525D-01
675
3.5470000 -0.368010D-02 0.566682D+00 -0.234968D+00
676
1.5640000 0.208211D-02 0.416433D+00 -0.311337D+00
686
1367.0000000 0.421015D-03 -0.100827D-03
687
324.0000000 0.360985D-02 -0.854499D-03
688
104.6000000 0.189217D-01 -0.457116D-02
689
39.3700000 0.705560D-01 -0.170327D-01
690
16.2600000 0.188157D+00 -0.475204D-01
691
7.0560000 0.338709D+00 -0.852786D-01
692
3.1300000 0.381943D+00 -0.109676D+00
693
1.3940000 0.195261D+00 -0.161181D-01
719
basis "S_may-cc-pV(Q+d)Z" SPHERICAL
721
727800.0000000 0.236025D-04 -0.652179D-05 0.189406D-05
722
109000.0000000 0.183482D-03 -0.506631D-04 0.146948D-04
723
24800.0000000 0.964278D-03 -0.266833D-03 0.775460D-04
724
7014.0000000 0.406537D-02 -0.112601D-02 0.326509D-03
725
2278.0000000 0.146973D-01 -0.411186D-02 0.119686D-02
726
814.7000000 0.465081D-01 -0.132454D-01 0.384799D-02
727
313.4000000 0.125508D+00 -0.377004D-01 0.110539D-01
728
127.7000000 0.268433D+00 -0.898554D-01 0.264645D-01
729
54.4800000 0.384809D+00 -0.167098D+00 0.508771D-01
730
23.8500000 0.265372D+00 -0.169354D+00 0.530030D-01
731
9.4280000 0.437326D-01 0.127824D+00 -0.425518D-01
732
4.2900000 -0.378807D-02 0.564862D+00 -0.250853D+00
733
1.9090000 0.218083D-02 0.431767D+00 -0.333152D+00
743
1546.0000000 0.441183D-03 -0.113110D-03
744
366.4000000 0.377571D-02 -0.958581D-03
745
118.4000000 0.198360D-01 -0.513471D-02
746
44.5300000 0.742063D-01 -0.192641D-01
747
18.3800000 0.197327D+00 -0.535980D-01
748
7.9650000 0.351851D+00 -0.960333D-01
749
3.5410000 0.378687D+00 -0.118183D+00
750
1.5910000 0.170931D+00 0.923194D-02
776
basis "Cl_may-cc-pV(Q+d)Z" SPHERICAL
778
834900.0000000 0.231688D-04 -0.649649D-05 0.196645D-05
779
125000.0000000 0.180154D-03 -0.504895D-04 0.152620D-04
780
28430.0000000 0.947782D-03 -0.266113D-03 0.806086D-04
781
8033.0000000 0.400139D-02 -0.112499D-02 0.339960D-03
782
2608.0000000 0.144629D-01 -0.410497D-02 0.124551D-02
783
933.9000000 0.456586D-01 -0.131987D-01 0.399612D-02
784
360.0000000 0.123248D+00 -0.375342D-01 0.114751D-01
785
147.0000000 0.264369D+00 -0.897233D-01 0.275504D-01
786
62.8800000 0.382989D+00 -0.167671D+00 0.532917D-01
787
27.6000000 0.270934D+00 -0.174763D+00 0.571246D-01
788
11.0800000 0.471404D-01 0.114909D+00 -0.395201D-01
789
5.0750000 -0.371766D-02 0.563618D+00 -0.264343D+00
790
2.2780000 0.219158D-02 0.441606D+00 -0.349291D+00
800
1703.0000000 0.474039D-03 -0.128266D-03
801
403.6000000 0.406412D-02 -0.109356D-02
802
130.3000000 0.213355D-01 -0.583429D-02
803
49.0500000 0.794611D-01 -0.219258D-01
804
20.2600000 0.208927D+00 -0.601385D-01
805
8.7870000 0.364945D+00 -0.106929D+00
806
3.9190000 0.371725D+00 -0.122454D+00
807
1.7650000 0.146292D+00 0.383619D-01
833
basis "Ar_may-cc-pV(Q+d)Z" SPHERICAL
835
950600.0000000 0.227545D-04 -0.646201D-05 0.202056D-05
836
142300.0000000 0.176945D-03 -0.502346D-04 0.156851D-04
837
32360.0000000 0.931282D-03 -0.264804D-03 0.828617D-04
838
9145.0000000 0.392860D-02 -0.111895D-02 0.349264D-03
839
2970.0000000 0.142064D-01 -0.408276D-02 0.127976D-02
840
1064.0000000 0.448114D-01 -0.131216D-01 0.410365D-02
841
410.8000000 0.121001D+00 -0.372855D-01 0.117789D-01
842
168.0000000 0.260579D+00 -0.894709D-01 0.283868D-01
843
71.9900000 0.381364D+00 -0.168054D+00 0.552406D-01
844
31.6700000 0.276058D+00 -0.179594D+00 0.607492D-01
845
12.8900000 0.505179D-01 0.102953D+00 -0.362012D-01
846
5.9290000 -0.359866D-02 0.562630D+00 -0.275398D+00
847
2.6780000 0.218798D-02 0.450355D+00 -0.362845D+00
857
1890.0000000 0.495752D-03 -0.138863D-03
858
447.8000000 0.425172D-02 -0.118870D-02
859
144.6000000 0.223277D-01 -0.632553D-02
860
54.4600000 0.830878D-01 -0.238813D-01
861
22.5100000 0.217110D+00 -0.649238D-01
862
9.7740000 0.374507D+00 -0.115444D+00
863
4.3680000 0.366445D+00 -0.123651D+00
864
1.9590000 0.129245D+00 0.649055D-01