MOLPRO Basis Query, element=Fe, basis=ANO-RCC, l=d
Basis Fe d ANO-RCC
| Primitives | Contractions... |
|---|
| 217.368800 | 0.000967 | -0.000983 | 0.001020 | -0.001830 | 0.003485 | -0.004836 | 0.013305 | -0.046794 |
| 64.999760 | 0.007933 | -0.007897 | 0.008468 | -0.016105 | 0.040137 | -0.059036 | 0.061196 | -0.194547 |
| 24.773140 | 0.035483 | -0.036448 | 0.038586 | -0.072239 | 0.147977 | -0.205577 | 0.478337 | -1.399303 |
| 10.436140 | 0.107695 | -0.107607 | 0.113273 | -0.210738 | 0.568800 | -0.863947 | 0.346588 | 2.793765 |
| 4.679653 | 0.225555 | -0.261048 | 0.307432 | -0.489607 | 0.133701 | 1.426651 | -2.038455 | -3.003739 |
| 2.125622 | 0.319430 | -0.290855 | 0.165851 | 0.328307 | -1.177933 | -0.326039 | 3.131322 | 2.399922 |
| 0.945242 | 0.323544 | 0.012548 | -0.431759 | 0.593483 | 0.586975 | -1.217822 | -3.082561 | -1.589373 |
| 0.402685 | 0.243383 | 0.403860 | -0.298190 | -0.150988 | 0.682446 | 1.829358 | 2.223613 | 0.893028 |
| 0.156651 | 0.106806 | 0.386725 | -0.010836 | -0.989210 | -1.178255 | -1.434833 | -1.233147 | -0.427131 |
| 0.062660 | 0.020527 | 0.243945 | 0.833999 | 0.939407 | 0.657002 | 0.604616 | 0.450485 | 0.148092 |
Comment: iron (21s,15p,10d,6f,4g,2h) -> [10s,9p,8d,6f,4g,2h] converted by Basis Set Exchange