MOLPRO Basis Query, element=Ca, basis=DZVP-DFT-orb, l=s
Basis Ca s DZVP-DFT-orb
Primitives | Contractions... |
36930.009000 | 0.001713 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
5531.709700 | 0.013145 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1252.741400 | 0.065836 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
350.814850 | 0.227361 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
112.596580 | 0.471847 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
38.088793 | 0.364499 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
74.116470 | 0.000000 | -0.099744 | 0.000000 | 0.000000 | 0.000000 |
8.184374 | 0.000000 | 0.595211 | 0.000000 | 0.000000 | 0.000000 |
3.200368 | 0.000000 | 0.478599 | 0.000000 | 0.000000 | 0.000000 |
5.528328 | 0.000000 | 0.000000 | 0.207185 | 0.000000 | 0.000000 |
0.837895 | 0.000000 | 0.000000 | -0.710580 | 0.000000 | 0.000000 |
0.333033 | 0.000000 | 0.000000 | -0.410992 | 0.000000 | 0.000000 |
0.508860 | 0.000000 | 0.000000 | 0.000000 | -0.154551 | 0.000000 |
0.066024 | 0.000000 | 0.000000 | 0.000000 | 0.724164 | 0.000000 |
0.026859 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: DZVP (DFT Orbital)