10
1
mirror of https://github.com/pfloos/quack synced 2024-11-04 21:23:55 +01:00
QuAcK/examples/basis.LiF.STO-3G

27 lines
957 B
Plaintext

1 3
S 3 1.00
16.1195750 0.15432897
2.9362007 0.53532814
0.7946505 0.44463454
S 3 1.00
0.6362897 -0.09996723
0.1478601 0.39951283
0.0480887 0.70011547
P 3 1.00
0.6362897 0.15591627
0.1478601 0.60768372
0.0480887 0.39195739
2 3
S 3 1.00
166.6791300 0.15432897
30.3608120 0.53532814
8.2168207 0.44463454
S 3 1.00
6.4648032 -0.09996723
1.5022812 0.39951283
0.4885885 0.70011547
P 3 1.00
6.4648032 0.15591627
1.5022812 0.60768372
0.4885885 0.39195739