MOLPRO Basis Query, element=Zr, basis=DZVP-DFT-orb, l=s
Basis Zr s DZVP-DFT-orb
| Primitives | Contractions... |
|---|
| 154759.610000 | 0.001638 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 23203.448000 | 0.012546 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 5264.804200 | 0.062972 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1479.971300 | 0.218992 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 479.718580 | 0.465242 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 164.715970 | 0.379458 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 314.931730 | 0.000000 | 0.111135 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 37.805987 | 0.000000 | -0.629293 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 15.970234 | 0.000000 | -0.445082 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 29.462766 | 0.000000 | 0.000000 | 0.244834 | 0.000000 | 0.000000 | 0.000000 |
| 5.037903 | 0.000000 | 0.000000 | -0.760724 | 0.000000 | 0.000000 | 0.000000 |
| 2.235821 | 0.000000 | 0.000000 | -0.376734 | 0.000000 | 0.000000 | 0.000000 |
| 3.941522 | 0.000000 | 0.000000 | 0.000000 | -0.281964 | 0.000000 | 0.000000 |
| 0.777354 | 0.000000 | 0.000000 | 0.000000 | 0.773766 | 0.000000 | 0.000000 |
| 0.327670 | 0.000000 | 0.000000 | 0.000000 | 0.393674 | 0.000000 | 0.000000 |
| 0.476653 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | -0.185203 | 0.000000 |
| 0.074205 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.744487 | 0.000000 |
| 0.029368 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: DZVP (DFT Orbital)