MOLPRO Basis Query, element=Fe, basis=cc-pwCV5Z, l=d
Basis Fe d cc-pwCV5Z
| Primitives | Contractions... |
|---|
| 489.115000 | 0.000161 | -0.000177 | 0.000255 | -0.000343 | -0.000480 | 0.000000 | 0.000000 | 0.000000 |
| 147.208000 | 0.001504 | -0.001662 | 0.002417 | -0.003370 | -0.004114 | 0.000000 | 0.000000 | 0.000000 |
| 57.127800 | 0.008264 | -0.009167 | 0.013360 | -0.018245 | -0.025128 | 0.000000 | 0.000000 | 0.000000 |
| 25.042900 | 0.030308 | -0.033813 | 0.050113 | -0.070772 | -0.090876 | 0.000000 | 0.000000 | 0.000000 |
| 11.667200 | 0.083310 | -0.095253 | 0.146215 | -0.217862 | -0.356930 | 0.000000 | 0.000000 | 0.000000 |
| 5.682500 | 0.173477 | -0.200973 | 0.307405 | -0.477433 | -0.498304 | 0.000000 | 0.000000 | 0.000000 |
| 2.813250 | 0.261483 | -0.271665 | 0.267051 | 0.110125 | 1.287022 | 0.000000 | 0.000000 | 0.000000 |
| 1.377330 | 0.299680 | -0.161899 | -0.262131 | 1.016616 | -0.102005 | 0.000000 | 0.000000 | 0.000000 |
| 0.656534 | 0.269564 | 0.163334 | -0.631999 | -0.380783 | -1.453025 | 0.000000 | 0.000000 | 0.000000 |
| 0.300700 | 0.178626 | 0.436016 | -0.002516 | -0.847500 | 1.420376 | 0.000000 | 0.000000 | 0.000000 |
| 0.130187 | 0.069195 | 0.368874 | 0.601701 | 0.593441 | -0.212964 | 0.000000 | 0.000000 | 0.000000 |
| 0.051582 | 0.007464 | 0.077226 | 0.182043 | 0.279453 | -0.500824 | 1.000000 | 0.000000 | 0.000000 |
| 7.095900 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
| 4.315000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: basis set from gbasis database