MOLPRO Basis Query, element=Ni, basis=DZVP-DFT-orb, l=s
Basis Ni s DZVP-DFT-orb
Primitives | Contractions... |
72509.042000 | -0.001721 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
10879.176000 | -0.013164 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
2471.646000 | -0.065657 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
695.826060 | -0.225903 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
225.375040 | -0.468916 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
77.240158 | -0.367284 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
150.364120 | 0.000000 | 0.106122 | 0.000000 | 0.000000 | 0.000000 |
17.331092 | 0.000000 | -0.622900 | 0.000000 | 0.000000 | 0.000000 |
7.048856 | 0.000000 | -0.451263 | 0.000000 | 0.000000 | 0.000000 |
13.006396 | 0.000000 | 0.000000 | -0.219559 | 0.000000 | 0.000000 |
2.068282 | 0.000000 | 0.000000 | 0.711174 | 0.000000 | 0.000000 |
0.796343 | 0.000000 | 0.000000 | 0.419969 | 0.000000 | 0.000000 |
1.140761 | 0.000000 | 0.000000 | 0.000000 | 0.134504 | 0.000000 |
0.136496 | 0.000000 | 0.000000 | 0.000000 | -0.579118 | 0.000000 |
0.048640 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: DZVP (DFT Orbital)