MOLPRO Basis Query, element=Ir, basis=seg-cc-pwCVTZ-PP, l=d
Basis Ir d seg-cc-pwCVTZ-PP
Primitives | Contractions... |
91.412500 | 0.000459 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
9.730130 | 0.291024 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
6.077120 | -1.256968 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1.688200 | 0.000000 | 1.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.823786 | 0.000000 | 0.000000 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
0.382068 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
0.166965 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
0.067231 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: G. Schoendorf and J. Boatz, J. Chem. Phys. 156, 064102 (2002)