MOLPRO Basis Query, element=Au, basis=CVTZ-PP-F12, l=d
Basis Au d CVTZ-PP-F12
| Primitives | Contractions... |
|---|
| 63.811200 | 0.000080 | 0.000364 | -0.001370 | 0.015036 | 0.000000 | 0.000000 | 0.000000 |
| 20.758200 | -0.000748 | -0.002293 | 0.006804 | -0.095815 | 0.000000 | 0.000000 | 0.000000 |
| 12.914300 | 0.009517 | -0.006739 | 0.006177 | 0.137521 | 0.000000 | 0.000000 | 0.000000 |
| 6.355710 | -0.066054 | 0.086897 | -0.132748 | 0.089894 | 0.000000 | 0.000000 | 0.000000 |
| 2.070870 | 0.194651 | -0.356332 | 0.815107 | -1.849811 | 0.000000 | 0.000000 | 0.000000 |
| 1.137690 | 0.328469 | -0.507532 | 0.264258 | 2.038860 | 0.000000 | 0.000000 | 0.000000 |
| 0.606778 | 0.331178 | 0.036378 | -1.178828 | 0.260521 | 0.000000 | 0.000000 | 0.000000 |
| 0.312442 | 0.238278 | 0.507112 | -0.110675 | -1.565730 | 0.000000 | 0.000000 | 0.000000 |
| 0.154044 | 0.112673 | 0.387483 | 0.661686 | 0.527926 | 0.000000 | 0.000000 | 0.000000 |
| 0.071119 | 0.021686 | 0.090398 | 0.268497 | 0.514338 | 1.000000 | 0.000000 | 0.000000 |
| 0.032800 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
| 5.425040 | 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)