MOLPRO Basis Query, element=At, basis=aug-cc-pVQZ-DK3, l=d
Basis At d aug-cc-pVQZ-DK3
| Primitives | Contractions... |
|---|
| 144885.100000 | 0.000008 | 0.000004 | -0.000002 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 40345.660000 | 0.000040 | 0.000021 | -0.000008 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 13444.980000 | 0.000196 | 0.000105 | -0.000040 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 5183.758000 | 0.000853 | 0.000460 | -0.000176 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2245.580000 | 0.003349 | 0.001814 | -0.000692 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1065.819000 | 0.011694 | 0.006377 | -0.002437 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 542.527300 | 0.034867 | 0.019176 | -0.007341 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 290.899200 | 0.088084 | 0.049234 | -0.018907 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 161.875000 | 0.180013 | 0.101689 | -0.039136 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 92.352180 | 0.283299 | 0.157560 | -0.060460 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 53.491660 | 0.316969 | 0.153860 | -0.056816 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 31.211300 | 0.212069 | -0.012925 | 0.019712 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 18.233110 | 0.074855 | -0.269353 | 0.134510 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 10.612950 | 0.011177 | -0.416592 | 0.205943 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6.131339 | 0.000927 | -0.305281 | 0.107505 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 3.504269 | 0.000048 | -0.103087 | -0.173938 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1.938977 | 0.000029 | -0.013824 | -0.400242 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1.054102 | -0.000017 | -0.000131 | -0.383706 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.555807 | 0.000009 | -0.000138 | -0.192469 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.281735 | -0.000003 | 0.000102 | -0.044740 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
| 0.132195 | 0.000001 | -0.000009 | -0.004178 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
| 0.059455 | 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)
| 