10
1
mirror of https://github.com/pfloos/quack synced 2024-11-04 21:23:55 +01:00
QuAcK/examples/basis.N2.6-31Gss

45 lines
1.5 KiB
Plaintext

1 6
S 6 1.00
4173.5110000 0.0018348
627.4579000 0.0139950
142.9021000 0.0685870
40.2343300 0.2322410
12.8202100 0.4690700
4.3904370 0.3604550
S 3 1.00
11.6263580 -0.1149610
2.7162800 -0.1691180
0.7722180 1.1458520
S 1 1.00
0.2120313 1.0000000
P 3 1.00
11.6263580 0.0675800
2.7162800 0.3239070
0.7722180 0.7408950
P 1 1.00
0.2120313 1.0000000
D 1 1.00
0.8000000 1.0000000
2 6
S 6 1.00
4173.5110000 0.0018348
627.4579000 0.0139950
142.9021000 0.0685870
40.2343300 0.2322410
12.8202100 0.4690700
4.3904370 0.3604550
S 3 1.00
11.6263580 -0.1149610
2.7162800 -0.1691180
0.7722180 1.1458520
S 1 1.00
0.2120313 1.0000000
P 3 1.00
11.6263580 0.0675800
2.7162800 0.3239070
0.7722180 0.7408950
P 1 1.00
0.2120313 1.0000000
D 1 1.00
0.8000000 1.0000000