MOLPRO Basis Query, element=Ir, basis=wCV5Z-PP, l=d
Basis Ir d wCV5Z-PP
Primitives | Contractions... |
43.813000 | 0.000119 | -0.000192 | 0.000601 | 0.001992 | 0.006607 | 0.000000 | 0.000000 | 0.000000 |
19.899100 | -0.001127 | 0.001604 | -0.004462 | -0.014470 | -0.041680 | 0.000000 | 0.000000 | 0.000000 |
12.426200 | 0.008171 | -0.009807 | 0.018711 | 0.044312 | 0.054054 | 0.000000 | 0.000000 | 0.000000 |
5.640270 | -0.061652 | 0.072261 | -0.120343 | -0.221094 | 0.183177 | 0.000000 | 0.000000 | 0.000000 |
1.879450 | 0.161880 | -0.212639 | 0.507094 | 1.385502 | -2.848781 | 0.000000 | 0.000000 | 0.000000 |
1.069250 | 0.275633 | -0.414328 | 0.568651 | -0.449236 | 4.768186 | 0.000000 | 0.000000 | 0.000000 |
0.599554 | 0.304219 | -0.207293 | -0.557230 | -1.611168 | -2.681170 | 0.000000 | 0.000000 | 0.000000 |
0.325908 | 0.259094 | 0.216640 | -0.705752 | 1.007238 | -0.602147 | 0.000000 | 0.000000 | 0.000000 |
0.170702 | 0.167286 | 0.450328 | 0.089764 | 0.700040 | 1.441589 | 0.000000 | 0.000000 | 0.000000 |
0.086184 | 0.068865 | 0.326047 | 0.571388 | -0.510352 | -0.158095 | 0.000000 | 0.000000 | 0.000000 |
0.041037 | 0.010939 | 0.084707 | 0.225402 | -0.398252 | -0.582083 | 1.000000 | 0.000000 | 0.000000 |
4.797400 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
3.001200 | 0.000000 | 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.