MOLPRO Basis Query, element=At, basis=aug-cc-pwCVQZ-DK, l=d
Basis At d aug-cc-pwCVQZ-DK
| Primitives | Contractions... |
|---|
| 144885.100000 | 0.000008 | 0.000004 | 0.000002 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 40345.660000 | 0.000040 | 0.000021 | 0.000008 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 13444.980000 | 0.000196 | 0.000105 | 0.000040 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 5183.758000 | 0.000853 | 0.000460 | 0.000176 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2245.580000 | 0.003350 | 0.001814 | 0.000692 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1065.819000 | 0.011696 | 0.006378 | 0.002437 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 542.527300 | 0.034873 | 0.019180 | 0.007343 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 290.899200 | 0.088097 | 0.049242 | 0.018912 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 161.875000 | 0.180033 | 0.101704 | 0.039146 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 92.352180 | 0.283314 | 0.157570 | 0.060470 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 53.491660 | 0.316967 | 0.153848 | 0.056817 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 31.211300 | 0.212042 | -0.012971 | -0.019739 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 18.233110 | 0.074833 | -0.269402 | -0.134545 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 10.612950 | 0.011172 | -0.416614 | -0.205977 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6.131339 | 0.000927 | -0.305234 | -0.107472 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 3.504269 | 0.000048 | -0.103039 | 0.174049 | 1.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1.938977 | 0.000029 | -0.013816 | 0.400344 | 0.000000 | 1.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1.054102 | -0.000017 | -0.000130 | 0.383682 | 0.000000 | 0.000000 | 1.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.555807 | 0.000009 | -0.000138 | 0.192329 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.281735 | -0.000003 | 0.000102 | 0.044676 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
| 0.132195 | 0.000001 | -0.000009 | 0.004169 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
| 0.059455 | 0.000000 | 0.000000 | 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)