4
1
mirror of https://github.com/pfloos/quack synced 2024-12-23 04:43:53 +01:00
quack/examples/basis.BF.cc-pvtz
2020-01-17 17:35:40 +01:00

75 lines
2.7 KiB
Plaintext

1 10
S 8
1 5473.0000000 0.0005550
2 820.9000000 0.0042910
3 186.8000000 0.0219490
4 52.8300000 0.0844410
5 17.0800000 0.2385570
6 5.9990000 0.4350720
7 2.2080000 0.3419550
8 0.2415000 -0.0095450
S 8
1 5473.0000000 -0.0001120
2 820.9000000 -0.0008680
3 186.8000000 -0.0044840
4 52.8300000 -0.0176830
5 17.0800000 -0.0536390
6 5.9990000 -0.1190050
7 2.2080000 -0.1658240
8 0.2415000 0.5959810
S 1
1 0.5879000 1.0000000
S 1
1 0.0861000 1.0000000
P 3
1 12.0500000 0.0131180
2 2.6130000 0.0798960
3 0.7475000 0.2772750
P 1
1 0.2385000 1.0000000
P 1
1 0.0769800 1.0000000
D 1
1 0.6610000 1.0000000
D 1
1 0.1990000 1.0000000
F 1
1 0.4900000 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