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

75 lines
2.7 KiB
Plaintext

1 10
S 8
1 8236.0000000 0.0005310
2 1235.0000000 0.0041080
3 280.8000000 0.0210870
4 79.2700000 0.0818530
5 25.5900000 0.2348170
6 8.9970000 0.4344010
7 3.3190000 0.3461290
8 0.3643000 -0.0089830
S 8
1 8236.0000000 -0.0001130
2 1235.0000000 -0.0008780
3 280.8000000 -0.0045400
4 79.2700000 -0.0181330
5 25.5900000 -0.0557600
6 8.9970000 -0.1268950
7 3.3190000 -0.1703520
8 0.3643000 0.5986840
S 1
1 0.9059000 1.0000000
S 1
1 0.1285000 1.0000000
P 3
1 18.7100000 0.0140310
2 4.1330000 0.0868660
3 1.2000000 0.2902160
P 1
1 0.3827000 1.0000000
P 1
1 0.1209000 1.0000000
D 1
1 1.0970000 1.0000000
D 1
1 0.3180000 1.0000000
F 1
1 0.7610000 1.0000000
2 10
S 8
1 15330.0000000 0.0005080
2 2299.0000000 0.0039290
3 522.4000000 0.0202430
4 147.3000000 0.0791810
5 47.5500000 0.2306870
6 16.7600000 0.4331180
7 6.2070000 0.3502600
8 0.6882000 -0.0081540
S 8
1 15330.0000000 -0.0001150
2 2299.0000000 -0.0008950
3 522.4000000 -0.0046360
4 147.3000000 -0.0187240
5 47.5500000 -0.0584630
6 16.7600000 -0.1364630
7 6.2070000 -0.1757400
8 0.6882000 0.6034180
S 1
1 1.7520000 1.0000000
S 1
1 0.2384000 1.0000000
P 3
1 34.4600000 0.0159280
2 7.7490000 0.0997400
3 2.2800000 0.3104920
P 1
1 0.7156000 1.0000000
P 1
1 0.2140000 1.0000000
D 1
1 2.3140000 1.0000000
D 1
1 0.6450000 1.0000000
F 1
1 1.4280000 1.0000000