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mirror of https://github.com/QuantumPackage/qp2.git synced 2024-10-15 12:11:36 +02:00
qp2/data/basis/pvtz_gamess
2019-01-25 11:39:31 +01:00

516 lines
16 KiB
Plaintext

HYDROGEN
S 3
1 33.6400000 0.0253740
2 5.0580000 0.1896840
3 1.1470000 0.8529330
S 1
1 0.3211000 1.0000000
S 1
1 0.1013000 1.0000000
P 1
1 1.0000000 1.0000000
BERYLLIUM
S 6
1 3630.0000000 0.0008390
2 532.3000000 0.0067350
3 117.8000000 0.0357260
4 32.6600000 0.1386350
5 10.4800000 0.3853990
6 3.6680000 0.5476880
S 2
1 3.6680000 0.2134060
2 1.3540000 0.8146920
S 1
1 0.3890000 1.0000000
S 1
1 0.1502000 1.0000000
S 1
1 0.0524100 1.0000000
P 3
1 3.2020000 0.0529120
2 0.6923000 0.2676590
3 0.2016000 0.7920850
P 1
1 0.1183000 1.0000000
P 1
1 0.0694000 1.0000000
D 1
1 0.3200000 1.0000000
BORON
S 6
1 6250.0000000 0.0007980
2 916.1000000 0.0064100
3 202.2000000 0.0342990
4 55.8300000 0.1354870
5 17.8600000 0.3885320
6 6.2530000 0.5477580
S 2
1 6.2530000 0.2326430
2 2.3120000 0.7972190
S 1
1 0.6824000 1.0000000
S 1
1 0.2604000 1.0000000
S 1
1 0.0894000 1.0000000
P 4
1 15.4600000 0.0168220
2 3.4830000 0.1008780
3 1.0660000 0.3368950
4 0.3928000 0.6723170
P 1
1 0.1503000 1.0000000
P 1
1 0.0572200 1.0000000
D 1
1 0.5000000 1.0000000
CARBON
S 6
1 9471.0000000 0.0007760
2 1398.0000000 0.0062180
3 307.5000000 0.0335750
4 84.5400000 0.1342780
5 26.9100000 0.3936680
6 9.4090000 0.5441690
S 2
1 9.4090000 0.2480750
2 3.5000000 0.7828440
S 1
1 1.0680000 1.0000000
S 1
1 0.4002000 1.0000000
S 1
1 0.1351000 1.0000000
P 4
1 25.3700000 0.0162950
2 5.7760000 0.1020980
3 1.7870000 0.3402280
4 0.6577000 0.6682690
P 1
1 0.2480000 1.0000000
P 1
1 0.0910600 1.0000000
D 1
1 0.7200000 1.0000000
NITROGEN
S 6
1 13520.0000000 0.0007600
2 1999.0000000 0.0060760
3 440.0000000 0.0328470
4 120.9000000 0.1323960
5 38.4700000 0.3932610
6 13.4600000 0.5463390
S 2
1 13.4600000 0.2520360
2 4.9930000 0.7793850
S 1
1 1.5690000 1.0000000
S 1
1 0.5800000 1.0000000
S 1
1 0.1923000 1.0000000
P 4
1 35.9100000 0.0169160
2 8.4800000 0.1022000
3 2.7060000 0.3381340
4 0.9921000 0.6692810
P 1
1 0.3727000 1.0000000
P 1
1 0.1346000 1.0000000
D 1
1 0.9800000 1.0000000
OXYGEN
S 6
1 18050.0000000 0.0007570
2 2660.0000000 0.0060660
3 585.7000000 0.0327820
4 160.9000000 0.1326090
5 51.1600000 0.3968390
6 17.9000000 0.5425720
S 2
1 17.9000000 0.2624900
2 6.6390000 0.7698280
S 1
1 2.0770000 1.0000000
S 1
1 0.7736000 1.0000000
S 1
1 0.2558000 1.0000000
P 4
1 49.8300000 0.0163580
2 11.4900000 0.1064530
3 3.6090000 0.3493020
4 1.3210000 0.6571830
P 1
1 0.4821000 1.0000000
P 1
1 0.1651000 1.0000000
D 1
1 1.2800000 1.0000000
FLUORINE
S 6
1 23340.0000000 0.0007570
2 3431.0000000 0.0060810
3 757.7000000 0.0326360
4 209.2000000 0.1317040
5 66.7300000 0.3962400
6 23.3700000 0.5436720
S 2
1 23.3700000 0.2648930
2 8.6240000 0.7679250
S 1
1 2.6920000 1.0000000
S 1
1 1.0090000 1.0000000
S 1
1 0.3312000 1.0000000
P 4
1 65.6600000 0.0160370
2 15.2200000 0.1056970
3 4.7880000 0.3502270
4 1.7320000 0.6581950
P 1
1 0.6206000 1.0000000
P 1
1 0.2070000 1.0000000
D 1
1 1.6200000 1.0000000
NEON
S 6
1 28660.0000000 0.0007670
2 4263.0000000 0.0060680
3 946.8000000 0.0324740
4 261.5000000 0.1314680
5 83.3400000 0.3977230
6 29.1700000 0.5424910
S 2
1 29.1700000 0.2690650
2 10.7600000 0.7641210
S 1
1 3.3430000 1.0000000
S 1
1 1.2410000 1.0000000
S 1
1 0.4063000 1.0000000
P 4
1 84.8400000 0.0155500
2 19.7100000 0.1030110
3 6.2190000 0.3492150
4 2.2110000 0.6628390
P 1
1 0.7853000 1.0000000
P 1
1 0.2566000 1.0000000
D 1
1 2.0000000 1.0000000
SODIUM
S 6
1 36166.4000000 0.0010320
2 5372.5800000 0.0080710
3 1213.2100000 0.0421290
4 339.6200000 0.1697890
5 109.5500000 0.5146210
6 38.7770000 0.3798170
S 3
1 38.7770000 0.3747620
2 14.5760000 0.5757690
3 5.2699000 0.1129330
S 1
1 1.8278000 1.0000000
S 1
1 0.6199000 1.0000000
S 1
1 0.0572000 1.0000000
S 1
1 0.0240000 1.0000000
P 4
1 144.6450000 0.0114850
2 33.9070000 0.0823830
3 10.6290000 0.3196580
4 3.8239000 0.7012950
P 2
1 1.4443000 0.6385060
2 0.5526000 0.4253650
P 1
1 0.1887000 1.0000000
P 1
1 0.0465000 1.0000000
P 1
1 0.0163000 1.0000000
D 1
1 0.1570000 1.0000000
MAGNESIUM
S 6
1 43866.5000000 0.0009180
2 6605.3700000 0.0070470
3 1513.2600000 0.0359410
4 432.3170000 0.1414610
5 142.1490000 0.4267640
6 51.3980000 0.4979750
S 3
1 51.3980000 0.2513550
2 19.9200000 0.6186710
3 8.0247000 0.1884170
S 1
1 2.5082000 1.0000000
S 1
1 0.8715000 1.0000000
S 1
1 0.1082000 1.0000000
S 1
1 0.0401000 1.0000000
P 4
1 193.8540000 0.0101880
2 45.4420000 0.0753600
3 14.1860000 0.3074190
4 5.0575000 0.7175750
P 2
1 1.8886000 0.6673390
2 0.7227000 0.3946490
P 1
1 0.2364000 1.0000000
P 1
1 0.0934000 1.0000000
P 1
1 0.0348000 1.0000000
D 1
1 0.2340000 1.0000000
ALUMINUM
S 6
1 54866.4900000 0.0008390
2 8211.7700000 0.0065270
3 1866.1800000 0.0336660
4 531.1290000 0.1329020
5 175.1180000 0.4012660
6 64.0055000 0.5313380
S 3
1 64.0055000 0.2023050
2 25.2925000 0.6247900
3 10.5349000 0.2274390
S 1
1 3.2067000 1.0000000
S 1
1 1.1526000 1.0000000
S 1
1 0.1767000 1.0000000
S 1
1 0.0652000 1.0000000
P 4
1 259.2840000 0.0094480
2 61.0769000 0.0709740
3 19.3032000 0.2956360
4 7.0109000 0.7282190
P 2
1 2.6739000 0.6444670
2 1.0366000 0.4174130
P 1
1 0.3168000 1.0000000
P 1
1 0.1143000 1.0000000
P 1
1 0.0414000 1.0000000
D 1
1 0.3110000 1.0000000
SILICON
S 6
1 69379.2300000 0.0007570
2 10354.9400000 0.0059320
3 2333.8800000 0.0310880
4 657.1400000 0.1249670
5 214.3000000 0.3868970
6 77.6290000 0.5548880
S 3
1 77.6290000 0.1778810
2 30.6310000 0.6277650
3 12.8010000 0.2476230
S 1
1 3.9269000 1.0000000
S 1
1 1.4523000 1.0000000
S 1
1 0.2562000 1.0000000
S 1
1 0.0943000 1.0000000
P 4
1 335.4800000 0.0088660
2 78.9000000 0.0682990
3 24.9880000 0.2909580
4 9.2197000 0.7321160
P 2
1 3.6211000 0.6198790
2 1.4513000 0.4391480
P 1
1 0.5050000 1.0000000
P 1
1 0.1863000 1.0000000
P 1
1 0.0654000 1.0000000
D 1
1 0.3880000 1.0000000
PHOSPHORUS
S 6
1 77492.4300000 0.0007870
2 11605.7900000 0.0061070
3 2645.9600000 0.0313730
4 754.9800000 0.1242390
5 248.7500000 0.3808930
6 91.1570000 0.5598120
S 3
1 91.1570000 0.1639860
2 36.2260000 0.6259500
3 15.2110000 0.2621960
S 1
1 4.7138000 1.0000000
S 1
1 1.7827000 1.0000000
S 1
1 0.3425000 1.0000000
S 1
1 0.1246000 1.0000000
P 5
1 384.8400000 0.0032400
2 90.5520000 0.0249250
3 28.8060000 0.1056970
4 10.6880000 0.2632290
5 4.2521000 0.7190530
P 2
1 4.2521000 -1.6127390
2 1.7405000 1.2050830
P 1
1 0.5979000 1.0000000
P 1
1 0.2292000 1.0000000
P 1
1 0.0838000 1.0000000
D 1
1 0.4650000 1.0000000
SULFUR
S 6
1 93413.4000000 0.0007420
2 13961.7000000 0.0057900
3 3169.9000000 0.0299450
4 902.4600000 0.1189710
5 297.1600000 0.3682730
6 108.7020000 0.5775070
S 3
1 108.7020000 0.1429430
2 43.1550000 0.6246060
3 18.1080000 0.2834380
S 1
1 5.5705000 1.0000000
S 1
1 2.1427000 1.0000000
S 1
1 0.4340000 1.0000000
S 1
1 0.1570000 1.0000000
P 5
1 495.0400000 0.0027200
2 117.2200000 0.0210900
3 37.5070000 0.0923690
4 13.9100000 0.2467810
5 5.5045000 0.7438400
P 2
1 5.5045000 -1.6087190
2 2.2433000 1.2232550
P 1
1 0.7762000 1.0000000
P 1
1 0.2919000 1.0000000
P 1
1 0.1029000 1.0000000
D 1
1 0.5420000 1.0000000
CHLORINE
S 6
1 105818.8000000 0.0007430
2 15872.0000000 0.0057530
3 3619.7000000 0.0296760
4 1030.8000000 0.1180100
5 339.9100000 0.3652300
6 124.5380000 0.5812210
S 3
1 124.5380000 0.1375480
2 49.5140000 0.6228810
3 20.8060000 0.2901430
S 1
1 6.4648000 1.0000000
S 1
1 2.5254000 1.0000000
S 1
1 0.5378000 1.0000000
S 1
1 0.1935000 1.0000000
P 5
1 589.7800000 0.0027600
2 139.8500000 0.0215360
3 44.7950000 0.0959160
4 16.6120000 0.2623150
5 6.5995000 0.7268110
P 2
1 6.5995000 -1.5642940
2 2.7141000 1.4957780
P 1
1 0.9528000 1.0000000
P 1
1 0.3580000 1.0000000
P 1
1 0.1250000 1.0000000
D 1
1 0.6190000 1.0000000
ARGON
S 6
1 118022.4000000 0.0007470
2 17683.5000000 0.0057900
3 4027.8000000 0.0299190
4 1145.4000000 0.1192060
5 377.1600000 0.3690280
6 138.1600000 0.5764590
S 3
1 138.1600000 0.1439270
2 54.9890000 0.6229380
3 23.1710000 0.2839640
S 1
1 7.3779000 1.0000000
S 1
1 2.9237000 1.0000000
S 1
1 0.6504000 1.0000000
S 1
1 0.2328000 1.0000000
P 5
1 663.0600000 0.0030820
2 157.0900000 0.0241650
3 50.2310000 0.1082230
4 18.6350000 0.2941920
5 7.4465000 0.6878620
P 2
1 7.4465000 -1.2144820
2 3.0957000 1.6323700
P 1
1 1.1065000 1.0000000
P 1
1 0.4156000 1.0000000
P 1
1 0.1454000 1.0000000
D 1
1 0.6960000 1.0000000