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mirror of https://github.com/pfloos/quack synced 2024-11-04 05:03:49 +01:00
QuAcK/examples/basis.CH+.6-31Gs

30 lines
973 B
Plaintext

1 6
S 6 1.00
3047.5249000 0.0018347
457.3695100 0.0140373
103.9486900 0.0688426
29.2101550 0.2321844
9.2866630 0.4679413
3.1639270 0.3623120
S 3 1.00
7.8682724 -0.1193324
1.8812885 -0.1608542
0.5442493 1.1434564
S 1 1.00
0.1687144 1.0000000
P 3 1.00
7.8682724 0.0689991
1.8812885 0.3164240
0.5442493 0.7443083
P 1 1.00
0.1687144 1.0000000
D 1 1.00
0.8000000 1.0000000
2 2
S 3 1.00
18.7311370 0.03349460
2.8253937 0.23472695
0.6401217 0.81375733
S 1 1.00
0.1612778 1.0000000