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

99 lines
3.4 KiB
Plaintext

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 15
S 9
1 74530.0000000 0.0000950
2 11170.0000000 0.0007380
3 2543.0000000 0.0038580
4 721.0000000 0.0159260
5 235.9000000 0.0542890
6 85.6000000 0.1495130
7 33.5500000 0.3082520
8 13.9300000 0.3948530
9 5.9150000 0.2110310
S 9
1 74530.0000000 -0.0000220
2 11170.0000000 -0.0001720
3 2543.0000000 -0.0008910
4 721.0000000 -0.0037480
5 235.9000000 -0.0128620
6 85.6000000 -0.0380610
7 33.5500000 -0.0862390
8 13.9300000 -0.1558650
9 5.9150000 -0.1109140
S 1
1 1.8430000 1.0000000
S 1
1 0.7124000 1.0000000
S 1
1 0.2637000 1.0000000
P 3
1 80.3900000 0.0063470
2 18.6300000 0.0442040
3 5.6940000 0.1685140
P 1
1 1.9530000 1.0000000
P 1
1 0.6702000 1.0000000
P 1
1 0.2166000 1.0000000
D 1
1 5.0140000 1.0000000
D 1
1 1.7250000 1.0000000
D 1
1 0.5860000 1.0000000
F 1
1 3.5620000 1.0000000
F 1
1 1.1480000 1.0000000
G 1
1 2.3760000 1.0000000