4
1
mirror of https://github.com/pfloos/quack synced 2024-12-23 12:56:38 +01:00
quack/examples/basis.B+.VTZ

38 lines
1.3 KiB
Plaintext
Raw Normal View History

2019-03-19 10:18:03 +01:00
1 10
S 8 1.00
5473.0000000 0.0005550
820.9000000 0.0042910
186.8000000 0.0219490
52.8300000 0.0844410
17.0800000 0.2385570
5.9990000 0.4350720
2.2080000 0.3419550
0.2415000 -0.0095450
S 8 1.00
5473.0000000 -0.0001120
820.9000000 -0.0008680
186.8000000 -0.0044840
52.8300000 -0.0176830
17.0800000 -0.0536390
5.9990000 -0.1190050
2.2080000 -0.1658240
0.2415000 0.5959810
S 1 1.00
0.5879000 1.0000000
S 1 1.00
0.0861000 1.0000000
P 3 1.00
12.0500000 0.0131180
2.6130000 0.0798960
0.7475000 0.2772750
P 1 1.00
0.2385000 1.0000000
P 1 1.00
0.0769800 1.0000000
D 1 1.00
0.6610000 1.0000000
D 1 1.00
0.1990000 1.0000000
F 1 1.00
0.4900000 1.0000000