4
1
mirror of https://github.com/pfloos/quack synced 2024-12-22 20:35:36 +01:00
quack/examples/basis.BH.cc-pvqz

74 lines
2.3 KiB
Plaintext
Raw Normal View History

2020-06-04 13:08:31 +02:00
1 15
S 9
1 23870.0000000 0.0000880
2 3575.0000000 0.0006870
3 812.8000000 0.0036000
4 229.7000000 0.0149490
5 74.6900000 0.0514350
6 26.8100000 0.1433020
7 10.3200000 0.3009350
8 4.1780000 0.4035260
9 1.7270000 0.2253400
S 9
1 23870.0000000 -0.0000180
2 3575.0000000 -0.0001390
3 812.8000000 -0.0007250
4 229.7000000 -0.0030630
5 74.6900000 -0.0105810
6 26.8100000 -0.0313650
7 10.3200000 -0.0710120
8 4.1780000 -0.1321030
9 1.7270000 -0.1230720
S 1
1 0.4704000 1.0000000
S 1
1 0.1896000 1.0000000
S 1
1 0.0739400 1.0000000
P 3
1 22.2600000 0.0050950
2 5.0580000 0.0332060
3 1.4870000 0.1323140
P 1
1 0.5071000 1.0000000
P 1
1 0.1812000 1.0000000
P 1
1 0.0646300 1.0000000
D 1
1 1.1100000 1.0000000
D 1
1 0.4020000 1.0000000
D 1
1 0.1450000 1.0000000
F 1
1 0.8820000 1.0000000
F 1
1 0.3110000 1.0000000
G 1
1 0.6730000 1.0000000
2 10
S 3
1 82.6400000 0.0020060
2 12.4100000 0.0153430
3 2.8240000 0.0755790
S 1
1 0.7977000 1.0000000
S 1
1 0.2581000 1.0000000
S 1
1 0.0898900 1.0000000
P 1
1 2.2920000 1.0000000
P 1
1 0.8380000 1.0000000
P 1
1 0.2920000 1.0000000
D 1
1 2.0620000 1.0000000
D 1
1 0.6620000 1.0000000
F 1
1 1.3970000 1.0000000