10
1
mirror of https://github.com/pfloos/quack synced 2024-11-05 05:33:50 +01:00
QuAcK/examples/basis.O3.6-31G

61 lines
2.1 KiB
Plaintext
Raw Normal View History

2019-03-19 10:18:03 +01:00
1 5
S 6 1.00
5484.6717000 0.0018311
825.2349500 0.0139501
188.0469600 0.0684451
52.9645000 0.2327143
16.8975700 0.4701930
5.7996353 0.3585209
S 3 1.00
15.5396160 -0.1107775
3.5999336 -0.1480263
1.0137618 1.1307670
S 1 1.00
0.2700058 1.0000000
P 3 1.00
15.5396160 0.0708743
3.5999336 0.3397528
1.0137618 0.7271586
P 1 1.00
0.2700058 1.0000000
2 5
S 6 1.00
5484.6717000 0.0018311
825.2349500 0.0139501
188.0469600 0.0684451
52.9645000 0.2327143
16.8975700 0.4701930
5.7996353 0.3585209
S 3 1.00
15.5396160 -0.1107775
3.5999336 -0.1480263
1.0137618 1.1307670
S 1 1.00
0.2700058 1.0000000
P 3 1.00
15.5396160 0.0708743
3.5999336 0.3397528
1.0137618 0.7271586
P 1 1.00
0.2700058 1.0000000
3 5
S 6 1.00
5484.6717000 0.0018311
825.2349500 0.0139501
188.0469600 0.0684451
52.9645000 0.2327143
16.8975700 0.4701930
5.7996353 0.3585209
S 3 1.00
15.5396160 -0.1107775
3.5999336 -0.1480263
1.0137618 1.1307670
S 1 1.00
0.2700058 1.0000000
P 3 1.00
15.5396160 0.0708743
3.5999336 0.3397528
1.0137618 0.7271586
P 1 1.00
0.2700058 1.0000000