MOLPRO Basis Query, element=Ir, basis=seg-cc-pV5Z-PP, l=d
Basis Ir d seg-cc-pV5Z-PP
Primitives | Contractions... |
43.813000 | 0.000297 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
19.899100 | -0.002811 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
12.426200 | 0.020379 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
5.640270 | -0.153767 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1.879450 | 0.403746 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1.069250 | 0.687458 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.599554 | 0.000000 | 1.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.325908 | 0.000000 | 0.000000 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
0.170702 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
0.086184 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
0.041037 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: G. Schoendorf and J. Boatz, J. Chem. Phys. 156, 064102 (2002)