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)