10
1
mirror of https://github.com/pfloos/quack synced 2024-11-04 21:23:55 +01:00
QuAcK/examples/basis.H2.cc-pvqz

47 lines
1.3 KiB
Plaintext
Raw Normal View History

2020-02-12 12:25:24 +01:00
1 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
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