MOLPRO Basis Query, element=Hg, basis=AV5Z-PP, l=d
Basis Hg d AV5Z-PP
Primitives | Contractions... |
154.491000 | 0.000018 | 0.000004 | 0.000188 | 0.000673 | 0.006065 | 0.000000 | 0.000000 |
37.961400 | 0.000349 | -0.001147 | -0.005849 | -0.012405 | -0.132484 | 0.000000 | 0.000000 |
23.380200 | -0.001499 | 0.004270 | 0.021139 | 0.039463 | 0.448597 | 0.000000 | 0.000000 |
14.372700 | 0.009300 | -0.016149 | -0.047168 | -0.030937 | -0.630265 | 0.000000 | 0.000000 |
6.654150 | -0.066736 | 0.101656 | 0.190593 | -0.196383 | 0.472366 | 0.000000 | 0.000000 |
2.202030 | 0.200736 | -0.396802 | -1.058973 | 2.436017 | 1.958628 | 0.000000 | 0.000000 |
1.222070 | 0.334635 | -0.553797 | -0.018085 | -3.431387 | -5.339692 | 0.000000 | 0.000000 |
0.660098 | 0.330220 | 0.116563 | 1.351382 | 1.126787 | 6.632664 | 0.000000 | 0.000000 |
0.346021 | 0.228798 | 0.531033 | -0.203881 | 1.123832 | -4.762076 | 0.000000 | 0.000000 |
0.174785 | 0.102569 | 0.341908 | -0.641963 | -0.822966 | 1.578743 | 0.000000 | 0.000000 |
0.083113 | 0.018604 | 0.062624 | -0.157949 | -0.271711 | 0.209273 | 1.000000 | 0.000000 |
0.039500 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: basis set of Peterson and Puzzarini, Ref 39, for PP of Ref 37.