PTEROSOR/QuAcK
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QuAcK/basis/4-31g

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basis
2020-01-17 13:57:03 +01:00
HYDROGEN
S 3
1 18.7311370 0.0334946
2 2.8253944 0.2347269
3 0.6401217 0.8137573
S 1
1 0.1612778 1.0000000
HELIUM
S 3
1 38.4216340 0.0237660
2 5.7780300 0.1546790
3 1.2417740 0.4696300
S 1
1 0.2979640 1.0000000
LITHIUM
S 5
1 275.3944400 0.00612185
2 41.4351750 0.04511296
3 9.3669938 0.19269415
4 2.5377253 0.46854421
5 0.7466365 0.44060752
S 2
1 0.7345643 -0.2525368
2 0.0871980 1.0973408
P 2
1 0.7345643 0.1435917
2 0.0871980 0.9478030
S 1
1 0.0404387 1.0000000
P 1
1 0.0404387 1.0000000
BERYLLIUM
S 5
1 554.0100000 0.00540997
2 83.2631000 0.04025150
3 18.8635000 0.17685800
4 5.1778200 0.45255900
5 1.5560200 0.47029300
S 2
1 1.4417525 -0.4774290
2 0.3018611 1.2474500
P 2
1 1.4417525 0.2011420
2 0.3018611 0.8844830
S 1
1 0.1009614 1.0000000
P 1
1 0.1009614 1.0000000
BORON
S 4
1 330.7528500 0.0179942
2 49.8438650 0.1246937
3 11.1170540 0.4343354
4 2.9227243 0.5609794
S 3
1 5.6812646 -0.1303871
2 1.4544046 -0.2514344
3 0.4283786 1.2051292
P 3
1 5.6812646 0.0637429
2 1.4544046 0.2761331
3 0.4283786 0.7773866
S 1
1 0.1442192 1.0000000
P 1
1 0.1442192 1.0000000
CARBON
S 4
1 486.9669300 0.0177258
2 73.3710940 0.1234787
3 16.4134580 0.4338754
4 4.3449836 0.5615042
S 3
1 8.6735253 -0.1213837
2 2.0966193 -0.2273385
3 0.6046513 1.1851739
P 3
1 8.6735253 0.0635454
2 2.0966193 0.2982678
3 0.6046513 0.7621032
S 1
1 0.1835578 1.0000000
P 1
1 0.1835578 1.0000000
NITROGEN
S 4
1 671.2795000 0.0175982511
2 101.2017000 0.1228462410
3 22.6999700 0.4337821410
4 6.0406090 0.5614182170
S 3
1 12.3935997 -0.1174893
2 2.9223828 -0.2139940
3 0.8325281 1.1745021
P 3
1 12.3935997 0.0640203
2 2.9223828 0.3112026
3 0.8325281 0.7527482
S 1
1 0.2259640 1.0000000
P 1
1 0.2259640 1.0000000
OXYGEN
S 4
1 883.2728600 0.0175506
2 133.1292800 0.1228292
3 29.9064080 0.4348836
4 7.9786772 0.5600108
S 3
1 16.1944470 -0.1134010
2 3.7800860 -0.1772865
3 1.0709836 1.1504079
P 3
1 16.1944470 0.0685453
2 3.7800860 0.3312254
3 1.0709836 0.7346079
S 1
1 0.2838798 1.0000000
P 1
1 0.2838798 1.0000000
FLUORINE
S 4
1 1126.1630000 0.0174758
2 169.7432000 0.1225230
3 38.1815100 0.4349990
4 10.2120400 0.5598120
S 3
1 21.4953700 -0.1110570
2 4.9897780 -0.1683220
3 1.4035740 1.1436260
P 3
1 21.4953700 0.0698880
2 4.9897780 0.3393880
3 1.4035740 0.7279590
S 1
1 0.3730318 1.0000000
P 1
1 0.3730318 1.0000000
NEON
S 4
1 1397.9321000 0.017423805
2 210.7697800 0.122272745
3 47.4672570 0.435014232
4 12.7226260 0.559714642
S 3
1 27.2130330 -0.1096094
2 6.2941344 -0.1641249
3 1.7600513 1.1401516
P 3
1 27.2130330 0.0704403
2 6.2941344 0.3439930
3 1.7600513 0.7245150
S 1
1 0.4618670 1.0000000
P 1
1 0.4618670 1.0000000
PHOSPHORUS
S 4
1 3018.6718000 0.0185213137
2 455.1271210 0.129904864
3 102.3147300 0.455100288
4 27.61784730 0.533131861
S 4
1 114.4294010 -0.0247503
2 26.5822959 -0.1350925
3 7.8718889 0.2277361
4 2.4878572 0.8755931
P 4
1 114.4294010 0.0274140
2 26.5822959 0.1690791
3 7.8718889 0.4691021
4 2.4878572 0.5181531
S 3
1 50.7506190 -0.0451192
2 1.6728624 -0.8504730
3 0.6210974 1.5962858
P 3
1 50.7506190 0.0037791
2 1.6728624 -0.0463438
3 0.6210974 1.0339443
S 1
1 0.1670160 1.0000000
P 1
1 0.1670160 1.0000000
SULFUR
S 4
1 3442.1244000 0.0184921
2 518.9131000 0.1298220
3 116.6909000 0.4550418
4 31.5716470 0.5330084
S 4
1 127.4405800 -0.0272646
2 29.7476670 -0.1424834
3 8.8346642 0.2597043
4 2.8173898 0.8525473
P 4
1 127.4405800 0.0291520
2 29.7476670 0.1779597
3 8.8346642 0.4836237
4 2.8173898 0.4942553
S 3
1 3.7291854 -0.2775315
2 1.4067702 -0.4576435
3 0.5481100 1.4316843
P 3
1 3.7291854 -0.0337509
2 1.4067702 0.1457110
3 0.5481100 0.8982887
S 1
1 0.1703809 1.0000000
P 1
1 0.1703809 1.0000000
CHLORINE
S 4
1 3910.3026000 0.0183794
2 589.5518000 0.1291401
3 132.5939200 0.4540448
4 35.9035420 0.5344394
S 4
1 147.7653500 -0.0267433
2 34.5060750 -0.1446911
3 10.2864710 0.2517035
4 3.3111473 0.8598203
P 4
1 147.7653500 0.0288645
2 34.5060750 0.1779647
3 10.2864710 0.4869998
4 3.3111473 0.4890184
S 3
1 4.2802849 -0.2703963
2 1.6410167 -0.3416297
3 0.6144785 1.3500245
P 3
1 4.2802849 -0.0367028
2 1.6410167 0.1918492
3 0.6144785 0.8643376
S 1
1 0.1956594 1.0000000
P 1
1 0.1956594 1.0000000
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