MOLPRO Basis Query, element=Hg, basis=cc-pwCVTZ-DK, l=d
Basis Hg d cc-pwCVTZ-DK
Primitives | Contractions... |
62494.100000 | 0.000020 | -0.000010 | 0.000003 | 0.000004 | 0.000005 | 0.000000 | 0.000000 | 0.000000 |
16643.100000 | 0.000116 | -0.000060 | 0.000019 | 0.000023 | 0.000028 | 0.000000 | 0.000000 | 0.000000 |
5557.080000 | 0.000622 | -0.000325 | 0.000101 | 0.000124 | 0.000154 | 0.000000 | 0.000000 | 0.000000 |
2202.770000 | 0.002782 | -0.001456 | 0.000454 | 0.000553 | 0.000678 | 0.000000 | 0.000000 | 0.000000 |
990.976000 | 0.010646 | -0.005614 | 0.001750 | 0.002152 | 0.002671 | 0.000000 | 0.000000 | 0.000000 |
487.885000 | 0.033665 | -0.017890 | 0.005591 | 0.006817 | 0.008369 | 0.000000 | 0.000000 | 0.000000 |
255.394000 | 0.088775 | -0.047990 | 0.015027 | 0.018527 | 0.023094 | 0.000000 | 0.000000 | 0.000000 |
139.018000 | 0.187526 | -0.102432 | 0.032171 | 0.039302 | 0.048547 | 0.000000 | 0.000000 | 0.000000 |
77.382200 | 0.300728 | -0.161652 | 0.050564 | 0.062237 | 0.076812 | 0.000000 | 0.000000 | 0.000000 |
43.515200 | 0.330537 | -0.150051 | 0.045027 | 0.052458 | 0.059407 | 0.000000 | 0.000000 | 0.000000 |
24.508800 | 0.200893 | 0.050719 | -0.028974 | -0.039643 | -0.059359 | 0.000000 | 0.000000 | 0.000000 |
13.741700 | 0.056706 | 0.330589 | -0.129088 | -0.174313 | -0.245074 | 0.000000 | 0.000000 | 0.000000 |
7.634990 | 0.005868 | 0.433086 | -0.169007 | -0.188887 | -0.175773 | 0.000000 | 0.000000 | 0.000000 |
4.186600 | 0.000553 | 0.258471 | -0.038934 | -0.038166 | -0.054633 | 0.000000 | 0.000000 | 0.000000 |
2.217860 | 0.000027 | 0.061204 | 0.226566 | 0.476195 | 1.193933 | 0.000000 | 0.000000 | 0.000000 |
1.132370 | 0.000017 | 0.004017 | 0.391615 | 0.528157 | -0.454686 | 0.000000 | 0.000000 | 0.000000 |
0.554423 | -0.000008 | 0.000411 | 0.356985 | -0.326636 | -1.103629 | 0.000000 | 0.000000 | 0.000000 |
0.258015 | 0.000003 | -0.000064 | 0.201200 | -0.580627 | 0.709797 | 0.000000 | 0.000000 | 0.000000 |
0.111354 | -0.000001 | 0.000020 | 0.050211 | -0.176827 | 0.394103 | 1.000000 | 0.000000 | 0.000000 |
5.424000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
1.403000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: basis set from gbasis database