4
1
mirror of https://github.com/pfloos/quack synced 2024-11-19 12:32:36 +01:00
quack/examples/basis.H2.AVDZ

27 lines
788 B
Plaintext

1 5
S 3 1.00
13.0100000 0.0196850
1.9620000 0.1379770
0.4446000 0.4781480
S 1 1.00
0.1220000 1.0000000
S 1 1.00
0.0297400 1.0000000
P 1 1.00
0.7270000 1.0000000
P 1 1.00
0.1410000 1.0000000
2 5
S 3 1.00
13.0100000 0.0196850
1.9620000 0.1379770
0.4446000 0.4781480
S 1 1.00
0.1220000 1.0000000
S 1 1.00
0.0297400 1.0000000
P 1 1.00
0.7270000 1.0000000
P 1 1.00
0.1410000 1.0000000