MOLPRO Basis Query, element=Fe, basis=def2-QZVPP, l=s
Basis Fe s def2-QZVPP
| Primitives | Contractions... |
|---|
| 4313154.433800 | 0.000009 | 0.000000 |
| 645875.082530 | 0.000067 | 0.000000 |
| 146981.876980 | 0.000354 | 0.000000 |
| 41630.615044 | 0.001495 | 0.000000 |
| 13580.620109 | 0.005414 | 0.000000 |
| 4902.062061 | 0.017362 | 0.000000 |
| 1911.290084 | 0.049567 | 0.000000 |
| 791.998379 | 0.123091 | 0.000000 |
| 344.547992 | 0.249367 | 0.000000 |
| 155.787227 | 0.358584 | 0.000000 |
| 72.179380 | 0.277382 | 0.000000 |
| 1417.912509 | 0.000000 | 0.007487 |
| 439.231842 | 0.000000 | 0.073338 |
| 168.510068 | 0.000000 | 0.333831 |
| 72.776269 | 0.000000 | 0.620225 |
| 32.752962 | 0.000000 | 0.000000 |
| 15.434336 | 0.000000 | 0.000000 |
| 7.363932 | 0.000000 | 0.000000 |
| 3.169883 | 0.000000 | 0.000000 |
| 1.524371 | 0.000000 | 0.000000 |
| 0.674963 | 0.000000 | 0.000000 |
| 0.147186 | 0.000000 | 0.000000 |
| 0.070082 | 0.000000 | 0.000000 |
| 0.031208 | 0.000000 | 0.000000 |
Comment: F. Weigend, F. Furche, R. Ahlrichs: JCP 119, 12753 (2003)