10
1
mirror of https://github.com/pfloos/quack synced 2024-11-05 13:43:51 +01:00
QuAcK/examples/basis.CH+.cc-pvqz
2020-06-04 13:08:31 +02:00

74 lines
2.3 KiB
Plaintext

1 15
S 9
1 33980.0000000 0.0000910
2 5089.0000000 0.0007040
3 1157.0000000 0.0036930
4 326.6000000 0.0153600
5 106.1000000 0.0529290
6 38.1100000 0.1470430
7 14.7500000 0.3056310
8 6.0350000 0.3993450
9 2.5300000 0.2170510
S 9
1 33980.0000000 -0.0000190
2 5089.0000000 -0.0001510
3 1157.0000000 -0.0007850
4 326.6000000 -0.0033240
5 106.1000000 -0.0115120
6 38.1100000 -0.0341600
7 14.7500000 -0.0771730
8 6.0350000 -0.1414930
9 2.5300000 -0.1180190
S 1
1 0.7355000 1.0000000
S 1
1 0.2905000 1.0000000
S 1
1 0.1111000 1.0000000
P 3
1 34.5100000 0.0053780
2 7.9150000 0.0361320
3 2.3680000 0.1424930
P 1
1 0.8132000 1.0000000
P 1
1 0.2890000 1.0000000
P 1
1 0.1007000 1.0000000
D 1
1 1.8480000 1.0000000
D 1
1 0.6490000 1.0000000
D 1
1 0.2280000 1.0000000
F 1
1 1.4190000 1.0000000
F 1
1 0.4850000 1.0000000
G 1
1 1.0110000 1.0000000
2 10
S 3
1 82.6400000 0.0020060
2 12.4100000 0.0153430
3 2.8240000 0.0755790
S 1
1 0.7977000 1.0000000
S 1
1 0.2581000 1.0000000
S 1
1 0.0898900 1.0000000
P 1
1 2.2920000 1.0000000
P 1
1 0.8380000 1.0000000
P 1
1 0.2920000 1.0000000
D 1
1 2.0620000 1.0000000
D 1
1 0.6620000 1.0000000
F 1
1 1.3970000 1.0000000