MOLPRO Basis Query, element=Ir, basis=ECP60MDF_WCVTZ, l=d
Basis Ir d ECP60MDF_WCVTZ
Primitives | Contractions... |
91.412500 | 0.000024 | -0.000013 | -0.000008 | 0.000000 | 0.000000 | 0.000000 |
9.730130 | 0.015217 | -0.018313 | 0.030614 | 0.000000 | 0.000000 | 0.000000 |
6.077120 | -0.065724 | 0.078022 | -0.130179 | 0.000000 | 0.000000 | 0.000000 |
1.688200 | 0.234005 | -0.325446 | 0.776697 | 0.000000 | 0.000000 | 0.000000 |
0.823786 | 0.384535 | -0.479395 | 0.104645 | 0.000000 | 0.000000 | 0.000000 |
0.382068 | 0.355849 | 0.139148 | -1.060265 | 0.000000 | 0.000000 | 0.000000 |
0.166965 | 0.211976 | 0.583134 | 0.169716 | 0.000000 | 0.000000 | 0.000000 |
0.067231 | 0.057064 | 0.325902 | 0.682984 | 1.000000 | 0.000000 | 0.000000 |
2.980400 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
0.961700 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: basis set from gbasis database, Figgen et al, Ref 48.