MOLPRO Basis Query, element=Fe, basis=Ahlrichs-Cfit, l=s
Basis Fe s Ahlrichs-Cfit
| Primitives | Contractions... |
|---|
| 13280.747000 | 2.494159 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 4555.931900 | 5.391327 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1645.243640 | 15.576809 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 624.601710 | 24.829660 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 248.866093 | 12.599002 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 103.853490 | -5.270933 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 45.278613 | 13.844333 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 20.564393 | 15.491830 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 9.696774 | -5.520290 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 4.728977 | 2.295266 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2.375100 | 0.000000 | 4.116182 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1.222744 | 0.000000 | 1.232459 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.641992 | 0.000000 | 0.000000 | 0.129228 | 0.000000 | 0.000000 | 0.000000 |
| 0.341923 | 0.000000 | 0.000000 | 0.000000 | 0.094836 | 0.000000 | 0.000000 |
| 0.183693 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.076095 | 0.000000 |
| 0.098974 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.045470 |
Comment: Ahlrichs Coulomb Fitting