10
1
mirror of https://github.com/pfloos/quack synced 2024-11-04 21:23:55 +01:00
QuAcK/examples/basis.LiF.cc-pvtz
2020-01-17 17:35:40 +01:00

77 lines
2.8 KiB
Plaintext

1 10
S 9
1 5988.0000000 0.0001330
2 898.9000000 0.0010250
3 205.9000000 0.0052720
4 59.2400000 0.0209290
5 19.8700000 0.0663400
6 7.4060000 0.1657750
7 2.9300000 0.3150380
8 1.1890000 0.3935230
9 0.4798000 0.1908700
S 9
1 5988.0000000 -0.0000210
2 898.9000000 -0.0001610
3 205.9000000 -0.0008200
4 59.2400000 -0.0033260
5 19.8700000 -0.0105190
6 7.4060000 -0.0280970
7 2.9300000 -0.0559360
8 1.1890000 -0.0992370
9 0.4798000 -0.1121890
S 1
1 0.0750900 1.0000000
S 1
1 0.0283200 1.0000000
P 3
1 3.2660000 0.0086300
2 0.6511000 0.0475380
3 0.1696000 0.2097720
P 1
1 0.0557800 1.0000000
P 1
1 0.0205000 1.0000000
D 1
1 0.1874000 1.0000000
D 1
1 0.0801000 1.0000000
F 1
1 0.1829000 1.0000000
2 10
S 8
1 19500.0000000 0.0005070
2 2923.0000000 0.0039230
3 664.5000000 0.0202000
4 187.5000000 0.0790100
5 60.6200000 0.2304390
6 21.4200000 0.4328720
7 7.9500000 0.3499640
8 0.8815000 -0.0078920
S 8
1 19500.0000000 -0.0001170
2 2923.0000000 -0.0009120
3 664.5000000 -0.0047170
4 187.5000000 -0.0190860
5 60.6200000 -0.0596550
6 21.4200000 -0.1400100
7 7.9500000 -0.1767820
8 0.8815000 0.6050430
S 1
1 2.2570000 1.0000000
S 1
1 0.3041000 1.0000000
P 3
1 43.8800000 0.0166650
2 9.9260000 0.1044720
3 2.9300000 0.3172600
P 1
1 0.9132000 1.0000000
P 1
1 0.2672000 1.0000000
D 1
1 3.1070000 1.0000000
D 1
1 0.8550000 1.0000000
F 1
1 1.9170000 1.0000000