Primitives | Contractions... | |||
---|---|---|---|---|
6.376800 | 0.164657 | -0.402370 | 0.796025 | -0.889554 |
2.506400 | 0.573211 | -0.478183 | -0.398958 | 1.338776 |
0.985100 | 0.398991 | 0.537936 | -0.530731 | -1.333611 |
0.387200 | 0.145477 | 0.470379 | 0.841565 | 0.814469 |
Comment: iron (21s,15p,10d,6f,4g,2h) -> [10s,9p,8d,6f,4g,2h] converted by Basis Set Exchange