MOLPRO Basis Query, element=Fe, basis=aug-cc-pwCVQZ, l=d
Basis Fe d aug-cc-pwCVQZ
| Primitives | Contractions... |
|---|
| 338.506000 | 0.000356 | -0.000391 | -0.000565 | -0.000816 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 101.492000 | 0.003229 | -0.003576 | -0.005185 | -0.007124 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 39.186700 | 0.016414 | -0.018191 | -0.026611 | -0.038560 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 16.903400 | 0.055133 | -0.062090 | -0.093079 | -0.133567 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 7.762960 | 0.137502 | -0.159287 | -0.248297 | -0.415211 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 3.698870 | 0.242595 | -0.269776 | -0.349823 | -0.279369 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1.759630 | 0.308523 | -0.238997 | 0.036922 | 0.927665 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.816651 | 0.299814 | 0.061985 | 0.649472 | 0.185589 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.363821 | 0.215048 | 0.413657 | 0.234238 | -1.079616 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.152541 | 0.092577 | 0.434878 | -0.609745 | 0.419709 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.057991 | 0.011908 | 0.114219 | -0.262202 | 0.403809 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
| 5.504800 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
| 2.912800 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
| 0.022050 | 0.000000 | 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)