10
1
mirror of https://github.com/pfloos/quack synced 2024-11-05 13:43:51 +01:00
QuAcK/examples/basis.H2.aug-cc-pv5z

90 lines
2.5 KiB
Plaintext

1 20
S 4
1 402.0000000 0.0002790
2 60.2400000 0.0021650
3 13.7300000 0.0112010
4 3.9050000 0.0448780
S 1
1 1.2830000 1.0000000
S 1
1 0.4655000 1.0000000
S 1
1 0.1811000 1.0000000
S 1
1 0.0727900 1.0000000
S 1
1 0.0207000 1.0000000
P 1
1 4.5160000 1.0000000
P 1
1 1.7120000 1.0000000
P 1
1 0.6490000 1.0000000
P 1
1 0.2460000 1.0000000
P 1
1 0.0744000 1.0000000
D 1
1 2.9500000 1.0000000
D 1
1 1.2060000 1.0000000
D 1
1 0.4930000 1.0000000
D 1
1 0.1560000 1.0000000
F 1
1 2.5060000 1.0000000
F 1
1 0.8750000 1.0000000
F 1
1 0.2740000 1.0000000
G 1
1 2.3580000 1.0000000
G 1
1 0.5430000 1.0000000
2 20
S 4
1 402.0000000 0.0002790
2 60.2400000 0.0021650
3 13.7300000 0.0112010
4 3.9050000 0.0448780
S 1
1 1.2830000 1.0000000
S 1
1 0.4655000 1.0000000
S 1
1 0.1811000 1.0000000
S 1
1 0.0727900 1.0000000
S 1
1 0.0207000 1.0000000
P 1
1 4.5160000 1.0000000
P 1
1 1.7120000 1.0000000
P 1
1 0.6490000 1.0000000
P 1
1 0.2460000 1.0000000
P 1
1 0.0744000 1.0000000
D 1
1 2.9500000 1.0000000
D 1
1 1.2060000 1.0000000
D 1
1 0.4930000 1.0000000
D 1
1 0.1560000 1.0000000
F 1
1 2.5060000 1.0000000
F 1
1 0.8750000 1.0000000
F 1
1 0.2740000 1.0000000
G 1
1 2.3580000 1.0000000
G 1
1 0.5430000 1.0000000