4
1
mirror of https://github.com/pfloos/quack synced 2024-11-19 12:32:36 +01:00
quack/examples/basis.Be.cc-pvtz

41 lines
1.4 KiB
Plaintext
Raw Normal View History

2020-03-17 21:34:59 +01:00
1 10
S 9
1 6863.0000000 0.0002360
2 1030.0000000 0.0018260
3 234.7000000 0.0094520
4 66.5600000 0.0379570
5 21.6900000 0.1199650
6 7.7340000 0.2821620
7 2.9160000 0.4274040
8 1.1300000 0.2662780
9 0.1101000 -0.0072750
S 9
1 6863.0000000 -0.0000430
2 1030.0000000 -0.0003330
3 234.7000000 -0.0017360
4 66.5600000 -0.0070120
5 21.6900000 -0.0231260
6 7.7340000 -0.0581380
7 2.9160000 -0.1145560
8 1.1300000 -0.1359080
9 0.1101000 0.5774410
S 1
1 0.2577000 1.0000000
S 1
1 0.0440900 1.0000000
P 3
1 7.4360000 0.0107360
2 1.5770000 0.0628540
3 0.4352000 0.2481800
P 1
1 0.1438000 1.0000000
P 1
1 0.0499400 1.0000000
D 1
1 0.3480000 1.0000000
D 1
1 0.1803000 1.0000000
F 1
1 0.3250000 1.0000000