MOLPRO Basis Query, element=Fe, basis=cc-pVQZ-DK, l=d
Basis Fe d cc-pVQZ-DK
| Primitives | Contractions... |
|---|
| 350.995000 | 0.000359 | -0.000395 | -0.000570 | -0.000819 | 0.000000 |
| 103.667000 | 0.003185 | -0.003530 | -0.005117 | -0.007013 | 0.000000 |
| 39.704300 | 0.016176 | -0.017941 | -0.026234 | -0.037847 | 0.000000 |
| 17.031000 | 0.054553 | -0.061461 | -0.092069 | -0.131414 | 0.000000 |
| 7.789020 | 0.136730 | -0.158316 | -0.246440 | -0.409400 | 0.000000 |
| 3.699550 | 0.242024 | -0.269340 | -0.350215 | -0.289367 | 0.000000 |
| 1.755320 | 0.308487 | -0.241226 | 0.030736 | 0.917577 | 0.000000 |
| 0.812845 | 0.300403 | 0.058570 | 0.647736 | 0.202084 | 0.000000 |
| 0.361441 | 0.216463 | 0.411615 | 0.240024 | -1.076167 | 0.000000 |
| 0.151346 | 0.094330 | 0.436160 | -0.604803 | 0.401769 | 0.000000 |
| 0.057513 | 0.012405 | 0.116873 | -0.267686 | 0.415038 | 1.000000 |
Comment: N.B. Balabanov and K.A. Peterson, J. Chem. Phys. 123, 064107 (2005)