MOLPRO Basis Query, element=Fe, basis=AWCVTZ-DK, l=d
Basis Fe d AWCVTZ-DK
| Primitives | Contractions... |
|---|
| 114.884000 | 0.003532 | -0.003896 | 0.005703 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 33.887800 | 0.025550 | -0.028207 | 0.041691 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 12.373000 | 0.098357 | -0.111573 | 0.172043 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 4.999250 | 0.237919 | -0.272839 | 0.408607 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2.070430 | 0.356539 | -0.317152 | 0.119525 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.828183 | 0.362848 | 0.052062 | -0.766038 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.307547 | 0.238803 | 0.561269 | -0.043081 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.099455 | 0.061904 | 0.389155 | 0.716935 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
| 4.530500 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
| 2.120500 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
| 0.032160 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: N.B. Balabanov and K.A. Peterson, J. Chem. Phys. 123, 064107 (2005)