MOLPRO Basis Query, element=Fe, basis=DZVP-DFT-orb, l=s
Basis Fe s DZVP-DFT-orb
| Primitives | Contractions... |
|---|
| 61430.227000 | 0.001756 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 9222.176000 | 0.013417 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2097.596900 | 0.066695 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 591.490400 | 0.228205 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 191.860620 | 0.469450 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 65.826328 | 0.363557 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 128.740740 | 0.000000 | -0.104917 | 0.000000 | 0.000000 | 0.000000 |
| 14.718133 | 0.000000 | 0.617962 | 0.000000 | 0.000000 | 0.000000 |
| 5.950754 | 0.000000 | 0.456009 | 0.000000 | 0.000000 | 0.000000 |
| 10.859879 | 0.000000 | 0.000000 | 0.218492 | 0.000000 | 0.000000 |
| 1.719447 | 0.000000 | 0.000000 | -0.711331 | 0.000000 | 0.000000 |
| 0.666453 | 0.000000 | 0.000000 | -0.418695 | 0.000000 | 0.000000 |
| 0.975476 | 0.000000 | 0.000000 | 0.000000 | -0.144105 | 0.000000 |
| 0.123114 | 0.000000 | 0.000000 | 0.000000 | 0.595813 | 0.000000 |
| 0.044880 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: DZVP (DFT Orbital)