10
1
mirror of https://github.com/pfloos/quack synced 2024-12-23 12:55:25 +01:00
QuAcK/examples/basis.Ne.cc-pvqz

52 lines
1.7 KiB
Plaintext
Raw Normal View History

2020-04-16 17:02:57 +02:00
1 15
S 9
1 99920.0000000 0.0000860
2 14960.0000000 0.0006690
3 3399.0000000 0.0035180
4 958.9000000 0.0146670
5 311.2000000 0.0509620
6 111.7000000 0.1437440
7 43.3200000 0.3045620
8 17.8000000 0.4001050
9 7.5030000 0.2186440
S 9
1 99920.0000000 -0.0000200
2 14960.0000000 -0.0001580
3 3399.0000000 -0.0008240
4 958.9000000 -0.0035000
5 311.2000000 -0.0122330
6 111.7000000 -0.0370170
7 43.3200000 -0.0861130
8 17.8000000 -0.1583810
9 7.5030000 -0.1142880
S 1
1 2.3370000 1.0000000
S 1
1 0.9001000 1.0000000
S 1
1 0.3301000 1.0000000
P 3
1 99.6800000 0.0065660
2 23.1500000 0.0459790
3 7.1080000 0.1734190
P 1
1 2.4410000 1.0000000
P 1
1 0.8339000 1.0000000
P 1
1 0.2662000 1.0000000
D 1
1 6.4710000 1.0000000
D 1
1 2.2130000 1.0000000
D 1
1 0.7470000 1.0000000
F 1
1 4.6570000 1.0000000
F 1
1 1.5240000 1.0000000
G 1
1 2.9830000 1.0000000