MOLPRO Basis Query, element=Ir, basis=cc-pwCVTZ-PP, l=s
Basis Ir s cc-pwCVTZ-PP
| Primitives | Contractions... |
|---|
| 34.204800 | 0.017330 | -0.006001 | 0.005700 | -0.000145 | 0.000000 | 0.000000 | 0.000000 |
| 21.376800 | -0.153203 | 0.053885 | 0.018686 | 0.000155 | 0.000000 | 0.000000 | 0.000000 |
| 13.362400 | 0.441933 | -0.160602 | -0.109882 | 0.000458 | 0.000000 | 0.000000 | 0.000000 |
| 8.348350 | -0.188692 | 0.080395 | -0.126230 | 0.002731 | 0.000000 | 0.000000 | 0.000000 |
| 4.731630 | -0.712225 | 0.257594 | 0.787639 | -0.011160 | 0.000000 | 0.000000 | 0.000000 |
| 1.307850 | 0.852905 | -0.423751 | -1.702767 | 0.032263 | 0.000000 | 0.000000 | 0.000000 |
| 0.624334 | 0.499746 | -0.348354 | 0.438334 | -0.030980 | 0.000000 | 0.000000 | 0.000000 |
| 0.193871 | 0.035249 | 0.280031 | 2.100408 | -0.001926 | 0.000000 | 0.000000 | 0.000000 |
| 0.087949 | -0.007078 | 0.654557 | -1.231866 | 0.024447 | 0.000000 | 0.000000 | 0.000000 |
| 0.037539 | 0.002626 | 0.291556 | -0.470045 | -0.017361 | 1.000000 | 0.000000 | 0.000000 |
| 1.787700 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
| 1.120800 | 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.