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QuantumPackage/data/basis/dzvp2

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Initial commit
2019-01-25 11:39:31 +01:00
HYDROGEN
S 4
1 50.9991780 0.0096605
2 7.4832181 0.0737289
3 1.7774676 0.2958581
4 0.5193295 0.7159053
S 1
1 0.1541100 1.0000000
P 1
1 0.7500000 1.0000000
HELIUM
S 5
1 33.2619660 0.0208658
2 7.5616549 0.0970588
3 221.3880300 0.0027491
4 2.0855990 0.2807289
5 0.6143392 0.4742218
S 1
1 0.1829212 1.0000000
P 1
1 1.1000000 1.0000000
LITHIUM
S 7
1 1455.8197000 -0.0007722
2 214.4537400 -0.0061131
3 48.1777910 -0.0313750
4 13.5056970 -0.1160676
5 4.2866198 -0.2933913
6 1.4453245 -0.4575219
7 0.4859064 -0.2624074
S 2
1 0.8347371 0.0751456
2 0.0676805 -0.6525949
S 1
1 0.0254459 1.0000000
P 1
1 0.0773000 1.0000000
D 1
1 0.1220000 1.0000000
BERYLLIUM
S 7
1 2692.3795000 0.0007506
2 403.7278600 0.0058046
3 91.6979450 0.0295766
4 25.8186030 0.1109887
5 8.2294920 0.2895556
6 2.8266847 0.4577717
7 0.9758994 0.2669943
S 2
1 1.9570315 -0.0750801
2 0.1651979 0.5823485
S 1
1 0.0551571 1.0000000
P 1
1 0.1665000 1.0000000
D 1
1 0.2780000 1.0000000
BORON
S 7
1 3862.5988000 0.0008493
2 581.4507100 0.0065081
3 133.1696300 0.0326348
4 37.9878720 0.1191406
5 12.3278480 0.3030930
6 4.3449642 0.4512283
7 1.5637309 0.2449106
S 2
1 3.4966262 -0.0774017
2 0.3045524 0.5763719
S 1
1 0.0962327 1.0000000
P 5
1 22.2584550 0.0055288
2 5.0508636 0.0385616
3 1.4846512 0.1440193
4 0.4979771 0.3428421
5 0.1710900 0.4662248
P 1
1 0.0570744 1.0000000
D 1
1 0.4000000 1.0000000
CARBON
S 7
1 5784.1571000 0.0008190
2 869.3035000 0.0062935
3 198.5116400 0.0317812
4 56.4299010 0.1172734
5 18.2854570 0.3034763
6 6.4487146 0.4535214
7 2.3418596 0.2430591
S 2
1 5.4595328 -0.0778044
2 0.4781968 0.5714947
S 1
1 0.1457301 1.0000000
P 5
1 34.2585630 0.0058043
2 7.8638954 0.0406403
3 2.3445193 0.1550219
4 0.7961715 0.3531444
5 0.2726804 0.4550062
P 1
1 0.0892605 1.0000000
D 1
1 0.6000000 1.0000000
NITROGEN
S 7
1 8104.1761000 0.0007969
2 1217.3138000 0.0061289
3 277.7399300 0.0310471
4 78.8475980 0.1153682
5 25.5371610 0.3025738
6 9.0045711 0.4557913
7 3.2835278 0.2430208
S 2
1 7.8493573 -0.0776364
2 0.6862239 0.5679815
S 1
1 0.2035026 1.0000000
P 5
1 49.0146080 -0.0059007
2 11.3166710 -0.0416444
3 3.4034053 -0.1610249
4 1.1611107 -0.3583538
5 0.3953358 -0.4488415
P 1
1 0.1268981 1.0000000
D 1
1 0.7000000 1.0000000
OXYGEN
S 7
1 10814.4020000 0.0007809
2 1623.7532000 0.0060102
3 370.1827400 0.0305222
4 104.9747500 0.1140089
5 33.9844220 0.3019574
6 11.9843120 0.4571107
7 4.3859704 0.2432478
S 2
1 10.6300340 -0.0787654
2 0.9398526 0.5706303
S 1
1 0.2766213 1.0000000
P 5
1 61.5442180 0.0066238
2 14.2761940 0.0464642
3 4.3317679 0.1744229
4 1.4766043 0.3666115
5 0.4959857 0.4369361
P 1
1 0.1544836 1.0000000
D 1
1 0.8000000 1.0000000
FLUORINE
S 7
1 13652.1010000 0.0007873
2 2050.2870000 0.0060550
3 467.6871200 0.0307289
4 132.7635000 0.1146453
5 43.0763810 0.3037706
6 15.2288280 0.4573067
7 5.6051180 0.2395779
S 2
1 13.8479360 -0.0790345
2 1.2266886 0.5708482
S 1
1 0.3574564 1.0000000
P 5
1 78.9617520 0.0067827
2 18.3478800 0.0478976
3 5.5871888 0.1793841
4 1.9018474 0.3692989
5 0.6333652 0.4332780
P 1
1 0.1933455 1.0000000
D 1
1 1.0000000 1.0000000
ALUMINUM
S 7
1 36088.1520000 0.0005976
2 5334.3620000 0.0047091
3 1199.0892000 0.0245538
4 334.0744700 0.0967110
5 106.1290600 0.2768191
6 36.8828020 0.4645259
7 13.3326880 0.2814003
S 3
1 30.1581280 0.0877714
2 2.9732774 -0.5715000
3 1.0163812 -0.5066880
S 2
1 1.4907612 0.1340397
2 0.1693572 -0.6655491
S 1
1 0.0617897 1.0000000
P 6
1 286.9581500 0.0035185
2 66.1673080 0.0283355
3 20.3217950 0.1262028
4 7.0858235 0.3283870
5 2.5222104 0.4712921
6 0.8630686 0.2733518
P 2
1 0.3761255 0.2031575
2 0.1266286 0.5438068
P 1
1 0.0426843 1.0000000
D 1
1 0.3000000 1.0000000
SILICON
S 7
1 42393.9270000 -0.0005895
2 6264.1129000 -0.0046483
3 1407.8552000 -0.0242470
4 392.2039600 -0.0956786
5 124.6268800 -0.2748168
6 43.3672480 -0.4640238
7 15.7102370 -0.2847122
S 3
1 35.2235690 0.0900852
2 3.5517236 -0.5764525
3 1.2528818 -0.5002972
S 2
1 1.9452047 -0.1507640
2 0.2368547 0.6746327
S 1
1 0.0859243 1.0000000
P 6
1 368.5214700 0.0031446
2 83.6558130 0.0262447
3 25.6576850 0.1196279
4 8.9925564 0.3209705
5 3.2480686 0.4750237
6 1.1380729 0.2774066
P 2
1 0.5284094 0.2291093
2 0.1831337 0.5483259
P 1
1 0.0625550 1.0000000
D 1
1 0.4500000 1.0000000
PHOSPHORUS
S 7
1 48863.3540000 -0.0005865
2 7253.0457000 -0.0046008
3 1632.6022000 -0.0239864
4 454.9823000 -0.0947864
5 144.6226000 -0.2730769
6 50.3827230 -0.4635665
7 18.2866900 -0.2875813
S 3
1 40.7125200 0.0921010
2 4.1800189 -0.5820485
3 1.5111173 -0.4937273
S 2
1 2.4442465 -0.1631431
2 0.3116418 0.6791050
S 1
1 0.1120119 1.0000000
P 6
1 435.2945700 -0.0030635
2 101.3544900 -0.0248674
3 31.4116590 -0.1147112
4 11.0759770 -0.3153050
5 4.0461809 -0.4779211
6 1.4423814 -0.2800161
P 2
1 0.7002308 -0.2484220
2 0.2448107 -0.5548767
P 1
1 0.0829896 1.0000000
D 1
1 0.5500000 1.0000000
SULFUR
S 7
1 56415.5800000 -0.0005778
2 8345.2689000 -0.0045513
3 1876.3041000 -0.0237472
4 522.7321600 -0.0939807
5 166.1749100 -0.2715021
6 57.9454220 -0.4631538
7 21.0667450 -0.2901939
S 3
1 46.6193150 -0.0938901
2 4.8598910 0.5877892
3 1.7911819 0.4873486
S 2
1 2.9765954 0.1731701
2 0.3942261 -0.6858736
S 1
1 0.1416732 1.0000000
P 6
1 520.4203400 -0.00293020
2 120.4299700 -0.02411078
3 37.3906240 -0.11217634
4 13.2484500 -0.31230673
5 4.8881277 -0.48011094
6 1.7649320 -0.27939772
P 2
1 0.88920670 -0.26593078
2 0.31032832 -0.54484109
P 1
1 0.10306758 1.0000000
D 1
1 0.6500000 1.0000000
CHLORINE
S 7
1 63923.6260000 -0.0005741
2 9525.9870000 -0.0044851
3 2146.3116000 -0.0233937
4 598.0274100 -0.0928049
5 190.0285500 -0.2693196
6 66.2619630 -0.4629613
7 24.0966080 -0.2937123
S 3
1 52.9332530 0.0954770
2 5.5923080 -0.5930161
3 2.0939560 -0.4816896
S 2
1 3.5576859 -0.1807501
2 0.4847469 0.6889594
S 1
1 0.1733046 1.0000000
P 6
1 583.2011500 -0.0030511
2 135.4472500 -0.0249121
3 42.3356250 -0.1147106
4 15.1542700 -0.3147476
5 5.6830677 -0.4781012
6 2.0902390 -0.2717695
P 2
1 1.0979970 -0.2785790
2 0.3822761 -0.5451829
P 1
1 0.1249985 1.0000000
D 1
1 0.7500000 1.0000000
ARGON
S 7
1 71235.4630000 -0.0005786
2 10643.4330000 -0.0045044
3 2402.5448000 -0.0234452
4 670.3890600 -0.0928603
5 213.3600100 -0.2691955
6 74.5580880 -0.4623268
7 27.1996410 -0.2939969
S 3
1 59.6961980 0.0968550
2 6.3703543 -0.5988462
3 2.4160646 -0.4755397
S 2
1 4.1865047 -0.1864648
2 0.5830501 0.6902170
S 1
1 0.2070069 1.0000000
P 6
1 699.4256400 0.0027769
2 163.5830400 0.0227069
3 51.1460160 0.1073837
4 18.2560580 0.3060700
5 6.8415056 0.4829578
6 2.5182546 0.2816344
P 2
1 1.3256352 0.2885004
2 0.4621947 0.5434688
P 1
1 0.1503712 1.0000000
D 1
1 0.8500000 1.0000000
SCANDIUM
S 6
1 40355.9090000 0.0017333
2 6050.5154000 0.0132789
3 1372.4765000 0.0663041
4 385.2470400 0.2281044
5 124.0319400 0.4713657
6 42.1194230 0.3633764
S 3
1 82.1586980 -0.1008175
2 9.1349838 0.6005760
3 3.6000856 0.4731860
S 3
1 6.3109738 0.2096618
2 0.9654948 -0.7088848
3 0.3789351 -0.4149589
S 2
1 0.5339866 -0.1518766
2 0.0736986 0.7029741
S 1
1 0.0287205 1.0000000
P 5
1 483.1196600 0.0092716
2 113.2477300 0.0686349
3 35.3572540 0.2599716
4 12.3792040 0.5043357
5 4.4103725 0.3495890
P 2
1 2.2242378 0.3102315
2 0.8338992 0.5551398
P 1
1 0.3034508 1.0000000
P 1
1 0.0765000 1.0000000
D 4
1 10.6629030 0.0644752
2 2.7196219 0.2636906
3 0.7677085 0.4718955
4 0.1886336 0.5452150
D 1
1 0.0360000 1.0000000
TITANIUM
S 6
1 44446.8960000 -0.0017276
2 6664.4146000 -0.0132329
3 1511.9865000 -0.0660837
4 424.5507800 -0.2274691
5 136.8002300 -0.4708755
6 46.5145350 -0.3644901
S 3
1 90.6049420 -0.1018126
2 10.1468580 0.6042992
3 4.0277164 0.4694450
S 3
1 7.1270376 -0.2127146
2 1.1031403 0.7104118
3 0.4324495 0.4153307
S 2
1 0.6155752 -0.1526574
2 0.0858581 0.6610350
S 1
1 0.0331033 1.0000000
P 5
1 537.6690300 0.0092080
2 126.3641400 0.0681868
3 39.5713790 0.2591324
4 13.9217500 0.5046390
5 4.9916806 0.3487787
P 2
1 2.5478908 0.3152197
2 0.9597935 0.5534010
P 1
1 0.3502063 1.0000000
P 1
1 0.0855000 1.0000000
D 4
1 13.5200160 -0.0624137
2 3.5074523 -0.2648016
3 1.0220948 -0.4797700
4 0.2627861 -0.5240558
D 1
1 0.0510000 1.0000000
VANADIUM
S 6
1 49145.2580000 -0.0017049
2 7366.1009000 -0.0130685
3 1669.9598000 -0.0654044
4 468.4395900 -0.2259286
5 150.8210000 -0.4704403
6 51.2527760 -0.3670273
S 3
1 99.4801800 -0.1027169
2 11.2132640 0.6076980
3 4.4778252 0.4660731
S 3
1 7.9913350 -0.2147809
2 1.2468158 0.7109044
3 0.4873934 0.4162709
S 2
1 0.6908890 -0.1490260
2 0.0969866 0.6330897
S 1
1 0.0367640 1.0000000
P 5
1 595.1270700 -0.0091589
2 140.0039700 -0.0679657
3 43.9413770 -0.2588992
4 15.5269520 -0.5050116
5 5.5992158 -0.3473443
P 2
1 2.8892723 -0.3191486
2 1.0908884 -0.5518365
P 1
1 0.3981297 1.0000000
P 1
1 0.0951000 1.0000000
D 4
1 16.2204730 -0.0616386
2 4.2547424 -0.2668608
3 1.2617714 -0.4844443
4 0.3315145 -0.5111355
D 1
1 0.0640000 1.0000000
CHROMIUM
S 6
1 52778.7450000 0.0017354
2 7918.3017000 0.0132775
3 1798.4871000 0.0661906
4 505.9200500 0.2273848
5 163.5005800 0.4700728
6 55.8176340 0.3647653
S 3
1 108.8041200 0.1035171
2 12.3273870 -0.6115169
3 4.9462295 -0.4623066
S 3
1 8.9020446 0.2161901
2 1.3966976 -0.7109203
3 0.5440141 -0.4173588
S 2
1 0.7773661 0.1468721
2 0.1070358 -0.6148496
S 1
1 0.0399077 1.0000000
P 5
1 661.7120400 -0.0089894
2 155.3130200 -0.0672768
3 48.7430800 -0.2579756
4 17.2660830 -0.5055800
5 6.2507652 -0.3471414
P 2
1 3.2504865 -0.3220208
2 1.2284088 -0.5504777
P 1
1 0.4478437 1.0000000
P 1
1 0.1051000 1.0000000
D 4
1 18.8329730 -0.0617040
2 4.9791203 -0.2701080
3 1.4918696 -0.4880989
4 0.3958512 -0.5011105
D 1
1 0.0750000 1.0000000
MANGANESE
S 6
1 58745.6920000 0.0016835
2 8803.0393000 0.0129103
3 1994.9330000 0.0647226
4 559.3536300 0.2242657
5 180.1227000 0.4696949
6 61.2621340 0.3698049
S 3
1 118.5280300 0.1042770
2 13.5049460 -0.6140001
3 5.4431834 -0.4598971
S 3
1 9.8569553 0.2175547
2 1.5552163 -0.7108859
3 0.6046178 -0.4183703
S 2
1 0.8629655 0.1437611
2 0.1167188 -0.6009008
S 1
1 0.0428591 1.0000000
P 5
1 740.9276800 -0.0086420
2 173.9131300 -0.0652249
3 54.5184910 -0.2540417
4 19.3004140 -0.5061519
5 6.9893098 -0.3514232
P 2
1 3.6326196 -0.3248359
2 1.3738297 -0.5496415
P 1
1 0.5014289 1.0000000
P 1
1 0.1129000 1.0000000
D 4
1 21.2579580 0.0630275
2 5.6579946 0.2754061
3 1.7029455 0.4916845
4 0.4518869 0.4914830
D 1
1 0.0820000 1.0000000
IRON
S 6
1 61430.2270000 0.0017559
2 9222.1760000 0.0134169
3 2097.5969000 0.0666954
4 591.4904000 0.2282051
5 191.8606200 0.4694499
6 65.8263280 0.3635569
S 3
1 128.7407400 -0.1049168
2 14.7181330 0.6179619
3 5.9507543 0.4560093
S 3
1 10.8598790 0.2184917
2 1.7194471 -0.7113310
3 0.6664532 -0.4186947
S 2
1 0.9754761 -0.1441054
2 0.1231143 0.5958134
S 1
1 0.0448795 1.0000000
P 5
1 780.6203000 -0.0091217
2 184.0062200 -0.0680040
3 58.0844670 -0.2597681
4 20.7597950 -0.5060138
5 7.5934515 -0.3419082
P 2
1 4.0279173 -0.3272962
2 1.5264700 -0.5481500
P 1
1 0.5573702 1.0000000
P 1
1 0.1210000 1.0000000
D 4
1 23.9293160 -0.0634921
2 6.3999013 -0.2783913
3 1.9317417 -0.4938195
4 0.5115279 -0.4862694
D 1
1 0.0900000 1.0000000
COBALT
S 6
1 67981.0420000 -0.0017024
2 10193.4280000 -0.0130386
3 2313.1814000 -0.0651880
4 650.0777900 -0.2250290
5 210.0601500 -0.4691457
6 71.7744980 -0.3686586
S 3
1 139.3222100 0.1055578
2 16.0027860 -0.6200954
3 6.4919353 -0.4539725
S 3
1 11.9103940 -0.2191273
2 1.8904105 0.7114201
3 0.7302278 0.4192248
S 2
1 1.0586020 0.1392893
2 0.1300905 -0.5864315
S 1
1 0.0468530 1.0000000
P 5
1 852.7913900 -0.0090266
2 201.0696400 -0.0675098
3 63.5213450 -0.2590251
4 22.7486490 -0.5063919
5 8.3427755 -0.3418521
P 2
1 4.4476087 -0.3289535
2 1.6858780 -0.5472994
P 1
1 0.6151209 1.0000000
P 1
1 0.1266000 1.0000000
D 4
1 26.5324690 -0.0644759
2 7.1258945 -0.2823659
3 2.1547673 -0.4956536
4 0.5688600 -0.4806519
D 1
1 0.0970000 1.0000000
NICKEL
S 6
1 72509.0420000 -0.0017208
2 10879.1760000 -0.0131637
3 2471.6460000 -0.0656567
4 695.8260600 -0.2259027
5 225.3750400 -0.4689157
6 77.2401580 -0.3672841
S 3
1 150.3641200 0.1061216
2 17.3310920 -0.6228997
3 7.0488555 -0.4512631
S 3
1 13.0063960 -0.2195590
2 2.0682821 0.7111742
3 0.7963434 0.4199687
S 2
1 1.1407612 0.1345042
2 0.1364956 -0.5791179
S 1
1 0.0486402 1.0000000
P 5
1 925.3782300 0.0089808
2 218.3791800 0.0672568
3 69.0758940 0.2587199
4 24.7941860 0.5067080
5 9.1177270 0.3412531
P 2
1 4.8865556 0.3302654
2 1.8520568 0.5465753
P 1
1 0.6748905 1.0000000
P 1
1 0.1351000 1.0000000
D 4
1 29.2296590 -0.0653953
2 7.8789145 -0.2860130
3 2.3861160 -0.4971564
4 0.6282437 -0.4756369
D 1
1 0.1040000 1.0000000
COPPER
S 6
1 80289.6200000 -0.0016562
2 12027.3380000 -0.0127093
3 2724.2575000 -0.0638518
4 763.5617300 -0.2221154
5 246.0645900 -0.4686049
6 83.8683630 -0.3733793
S 3
1 161.7972600 0.1066759
2 18.7253750 -0.6245943
3 7.6364165 -0.4496724
S 3
1 14.1508290 -0.2198077
2 2.2528304 0.7108760
3 0.8644886 0.4206571
S 2
1 1.2230963 0.1303169
2 0.1429771 -0.5708601
S 1
1 0.0504603 1.0000000
P 5
1 1002.9745000 0.0089143
2 236.6253000 0.0669704
3 74.8923210 0.2584147
4 26.9312520 0.5070620
5 9.9267759 0.3407511
P 2
1 5.3446648 0.3313745
2 2.0247480 0.5459871
P 1
1 0.7366331 1.0000000
P 1
1 0.1410000 1.0000000
D 4
1 31.8126670 -0.0668891
2 8.6058716 -0.2907401
3 2.6093411 -0.4984194
4 0.6852135 -0.4697251
D 1
1 0.1100000 1.0000000
ZINC
S 6
1 82904.2200000 -0.0017313
2 12444.2320000 -0.0132328
3 2829.8529000 -0.0658901
4 797.8928800 -0.2261988
5 259.0647300 -0.4683911
6 89.0795120 -0.3669156
S 3
1 173.6817200 -0.1071624
2 20.1664970 0.6264982
3 8.2470819 0.4478206
S 3
1 15.3165840 -0.2212375
2 2.4557493 0.7091911
3 0.9548777 0.4224147
S 2
1 1.4100034 -0.1404652
2 0.1693441 0.6012745
S 1
1 0.0592210 1.0000000
P 5
1 1085.1785000 0.0088260
2 256.1809300 0.0664455
3 81.1402530 0.2574246
4 29.2225200 0.5071455
5 10.7936950 0.3414356
P 2
1 5.8412904 0.3312125
2 2.2263660 0.5463761
P 1
1 0.8211640 1.0000000
P 1
1 0.1690000 1.0000000
D 4
1 38.0934670 -0.0606966
2 10.4237560 -0.2760500
3 3.2532521 -0.4982638
4 0.9097529 -0.4689898
D 1
1 0.1720000 1.0000000
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