MOLPRO Basis Query, element=Fe, basis=Ahlrichs-TZv, l=s
Basis Fe s Ahlrichs-TZv
| Primitives | Contractions... |
|---|
| 300784.846000 | 0.000228 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 45088.971000 | 0.001768 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 10262.516300 | 0.009193 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2905.289730 | 0.037355 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 946.114870 | 0.121511 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 339.878330 | 0.288189 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 131.944256 | 0.411266 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 52.111494 | 0.215186 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 329.488390 | 0.000000 | -0.024745 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 101.923327 | 0.000000 | -0.116831 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 16.240463 | 0.000000 | 0.552936 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6.884068 | 0.000000 | 0.536016 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 10.470694 | 0.000000 | 0.000000 | -0.229127 | 0.000000 | 0.000000 | 0.000000 |
| 1.736004 | 0.000000 | 0.000000 | 0.711593 | 0.000000 | 0.000000 | 0.000000 |
| 0.725773 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
| 0.115955 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
| 0.041968 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: Ahlrichs TZV