MOLPRO Basis Query, element=Fe, basis=aug-cc-pwCVTZ, l=d
Basis Fe d aug-cc-pwCVTZ
| Primitives | Contractions... |
|---|
| 113.344000 | 0.003530 | -0.003890 | 0.005695 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 33.641400 | 0.025784 | -0.028442 | 0.042001 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 12.331000 | 0.099119 | -0.112429 | 0.173540 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 4.994780 | 0.239073 | -0.274257 | 0.410157 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2.072800 | 0.357199 | -0.315546 | 0.113252 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.830753 | 0.362188 | 0.057109 | -0.769680 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.309178 | 0.236461 | 0.563604 | -0.031643 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.100130 | 0.060118 | 0.384637 | 0.713797 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
| 4.532600 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
| 2.130300 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
| 0.032430 | 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)