MOLPRO Basis Query, element=Ir, basis=wCVQZ-PP, l=d
Basis Ir d wCVQZ-PP
Primitives | Contractions... |
52.973100 | 0.000069 | -0.000138 | 0.000433 | -0.000501 | 0.000000 | 0.000000 | 0.000000 |
19.052100 | -0.000869 | 0.001527 | -0.004496 | 0.005787 | 0.000000 | 0.000000 | 0.000000 |
11.859800 | 0.008841 | -0.011159 | 0.021599 | -0.031809 | 0.000000 | 0.000000 | 0.000000 |
5.718600 | -0.061444 | 0.072916 | -0.121471 | 0.198340 | 0.000000 | 0.000000 | 0.000000 |
1.805750 | 0.189744 | -0.257059 | 0.602780 | -1.505647 | 0.000000 | 0.000000 | 0.000000 |
0.957162 | 0.328166 | -0.466392 | 0.450318 | 1.136515 | 0.000000 | 0.000000 | 0.000000 |
0.490166 | 0.337520 | -0.075304 | -0.895685 | 0.910354 | 0.000000 | 0.000000 | 0.000000 |
0.241641 | 0.247460 | 0.416071 | -0.418767 | -1.428503 | 0.000000 | 0.000000 | 0.000000 |
0.114204 | 0.119903 | 0.462800 | 0.552530 | 0.120168 | 0.000000 | 0.000000 | 0.000000 |
0.050540 | 0.023967 | 0.162837 | 0.402002 | 0.657192 | 1.000000 | 0.000000 | 0.000000 |
3.280900 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
1.281200 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: basis set from gbasis database, Figgen et al, Ref 48.