4
1
mirror of https://github.com/pfloos/quack synced 2024-06-26 15:12:17 +02:00
quack/examples/basis.Ne.6-31Gs

23 lines
748 B
Plaintext

1 6
S 6 1.00
8425.8515300 0.0018843481
1268.5194000 0.0143368994
289.6214140 0.0701096233
81.8590040 0.2373732660
26.2515079 0.4730071260
9.09472051 0.3484012410
S 3 1.00
26.5321310 -0.107118287
6.10175501 -0.146163821
1.69627153 1.127773500
S 1 1.00
0.44581870 1.0000000
P 3 1.00
26.5321310 0.0719095885
6.10175501 0.3495133720
1.69627153 0.7199405120
P 1 1.00
0.44581870 1.0000000
D 1 1.00
0.8000000 1.0000000