MOLPRO Basis Query, element=Ir, basis=cc-pVQZ-PP, l=s
Basis Ir s cc-pVQZ-PP
Primitives | Contractions... |
99.398200 | 0.000458 | -0.000120 | 0.000221 | -0.000511 | -0.013215 | 0.000000 |
59.734800 | -0.004606 | 0.001316 | -0.000199 | 0.001538 | 0.078391 | 0.000000 |
37.306400 | 0.031610 | -0.009963 | -0.011327 | 0.013020 | -0.211188 | 0.000000 |
23.311200 | -0.142872 | 0.047875 | 0.079476 | -0.113355 | 0.285861 | 0.000000 |
13.495900 | 0.394281 | -0.138563 | -0.253494 | 0.379589 | -0.237987 | 0.000000 |
7.604980 | -0.212758 | 0.083083 | 0.128984 | -0.147920 | 1.280034 | 0.000000 |
4.531330 | -0.691287 | 0.256974 | 0.590961 | -1.163182 | -4.314861 | 0.000000 |
2.308710 | 0.044586 | -0.029297 | -0.059375 | 0.149115 | 5.663222 | 0.000000 |
1.360110 | 0.726713 | -0.339601 | -1.062643 | 4.096377 | 1.541941 | 0.000000 |
0.732298 | 0.526805 | -0.360403 | -0.973178 | -3.381261 | -10.348014 | 0.000000 |
0.381352 | 0.108253 | -0.056252 | 1.718860 | -1.677450 | 9.566034 | 0.000000 |
0.164030 | 0.005580 | 0.421868 | 0.936750 | 3.175501 | -3.587635 | 0.000000 |
0.073729 | 0.001306 | 0.603620 | -1.008248 | -0.745463 | -0.522110 | 0.000000 |
0.033198 | 0.000428 | 0.199222 | -0.381562 | -0.688085 | 1.136331 | 1.000000 |
Comment: basis set from gbasis database, Figgen et al, Ref 48.