MOLPRO Basis Query, element=Hg, basis=ACVTZ-PP-F12, l=s
Basis Hg s ACVTZ-PP-F12
Primitives | Contractions... |
8630.810000 | 0.000009 | 0.000004 | 0.000003 | 0.000157 | 0.002704 | 0.000000 | 0.000000 | 0.000000 |
1283.260000 | 0.000066 | 0.000025 | -0.000098 | -0.000563 | -0.011148 | 0.000000 | 0.000000 | 0.000000 |
283.307000 | 0.000251 | 0.000097 | -0.000107 | 0.002161 | 0.028423 | 0.000000 | 0.000000 | 0.000000 |
34.663500 | 0.014919 | 0.005152 | -0.013811 | -0.054284 | -0.820125 | 0.000000 | 0.000000 | 0.000000 |
21.563800 | -0.136211 | -0.048427 | 0.114199 | 0.146742 | 3.253940 | 0.000000 | 0.000000 | 0.000000 |
13.409100 | 0.461366 | 0.172608 | -0.394176 | -0.061963 | -6.308335 | 0.000000 | 0.000000 | 0.000000 |
7.820270 | -0.369646 | -0.164616 | 0.383166 | 0.414373 | 7.928968 | 0.000000 | 0.000000 | 0.000000 |
4.885340 | -0.629382 | -0.216879 | 0.516814 | -1.799575 | -3.797141 | 0.000000 | 0.000000 | 0.000000 |
1.767140 | 0.676410 | 0.333315 | -1.093390 | 4.618238 | -6.342788 | 0.000000 | 0.000000 | 0.000000 |
0.964921 | 0.627835 | 0.379526 | -1.192196 | -2.962654 | 12.697788 | 0.000000 | 0.000000 | 0.000000 |
0.491862 | 0.140345 | 0.096984 | 1.789644 | -2.397629 | -9.894708 | 0.000000 | 0.000000 | 0.000000 |
0.211477 | 0.004301 | -0.398608 | 0.914437 | 3.504683 | 3.473424 | 0.000000 | 0.000000 | 0.000000 |
0.091381 | 0.000237 | -0.616761 | -0.961654 | -0.883780 | 0.502073 | 0.000000 | 0.000000 | 0.000000 |
0.039661 | -0.000035 | -0.223463 | -0.353943 | -0.610614 | -1.045006 | 1.000000 | 0.000000 | 0.000000 |
0.017200 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
2.786350 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: J.G. Hill and R.A. Shaw, JCP 155 174113 (2021)