4
1
mirror of https://github.com/pfloos/quack synced 2024-12-23 12:56:38 +01:00
quack/examples/basis.HNO.6-31+g_star

60 lines
1.8 KiB
Plaintext
Raw Normal View History

2020-04-16 17:02:57 +02:00
1 2
S 3
1 18.7311370 0.03349460
2 2.8253937 0.23472695
3 0.6401217 0.81375733
S 1
1 0.1612778 1.0000000
2 8
S 6
1 4173.5110000 0.0018348
2 627.4579000 0.0139950
3 142.9021000 0.0685870
4 40.2343300 0.2322410
5 12.8202100 0.4690700
6 4.3904370 0.3604550
S 3
1 11.6263580 -0.1149610
2 2.7162800 -0.1691180
3 0.7722180 1.1458520
P 3
1 11.6263580 0.0675800
2 2.7162800 0.3239070
3 0.7722180 0.7408950
S 1
1 0.2120313 1.0000000
P 1
1 0.2120313 1.0000000
S 1
1 0.0639000 1.0000000
P 1
1 0.0639000 1.0000000
D 1
1 0.8000000 1.0000000
3 8
S 6
1 5484.6717000 0.0018311
2 825.2349500 0.0139501
3 188.0469600 0.0684451
4 52.9645000 0.2327143
5 16.8975700 0.4701930
6 5.7996353 0.3585209
S 3
1 15.5396160 -0.1107775
2 3.5999336 -0.1480263
3 1.0137618 1.1307670
P 3
1 15.5396160 0.0708743
2 3.5999336 0.3397528
3 1.0137618 0.7271586
S 1
1 0.2700058 1.0000000
P 1
1 0.2700058 1.0000000
S 1
1 0.0845000 1.0000000
P 1
1 0.0845000 1.0000000
D 1
1 0.8000000 1.0000000