MOLPRO Basis Query, element=At, basis=augccpwCVTZ-DK3, l=d
Basis At d augccpwCVTZ-DK3
| Primitives | Contractions... |
|---|
| 82145.410000 | 0.000019 | 0.000010 | -0.000004 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 21503.890000 | 0.000108 | 0.000058 | -0.000022 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 7093.868000 | 0.000566 | 0.000305 | -0.000116 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2786.927000 | 0.002482 | 0.001342 | -0.000512 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1244.904000 | 0.009429 | 0.005135 | -0.001961 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 609.235300 | 0.030067 | 0.016499 | -0.006315 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 317.291600 | 0.080749 | 0.045034 | -0.017281 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 172.023400 | 0.175657 | 0.099168 | -0.038176 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 95.539470 | 0.291532 | 0.162626 | -0.062411 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 53.748600 | 0.334781 | 0.162628 | -0.060127 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 30.402470 | 0.217036 | -0.025571 | 0.026337 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 17.208960 | 0.067473 | -0.311949 | 0.154416 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 9.717680 | 0.007943 | -0.436492 | 0.215810 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 5.460531 | 0.000589 | -0.273138 | 0.059125 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 3.006683 | 0.000027 | -0.070975 | -0.258014 | 1.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1.624283 | 0.000010 | -0.005440 | -0.435831 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.859608 | -0.000005 | -0.000292 | -0.342503 | 0.000000 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.427034 | 0.000003 | 0.000104 | -0.134637 | 0.000000 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
| 0.176437 | -0.000000 | 0.000010 | -0.015462 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
| 0.070900 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: D.H. Bross and K.A. Peterson, Theor. Chem. Acc. 133, 1434(2013)
| 