MOLPRO Basis Query, element=At, basis=ECP60MDF_V5Z, l=s
Basis At s ECP60MDF_V5Z
| Primitives | Contractions... |
|---|
| 26533.400000 | 0.000009 | -0.000005 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 3957.860000 | 0.000071 | -0.000039 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 892.460000 | 0.000324 | -0.000170 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 245.339000 | 0.000823 | -0.000466 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 39.269400 | 0.019106 | -0.008222 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 24.482000 | -0.170652 | 0.078440 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 15.291400 | 0.624299 | -0.312249 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 9.545110 | -0.548279 | 0.324481 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 5.751520 | -0.749961 | 0.347310 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 3.515890 | 0.244415 | -0.144805 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1.938010 | 0.860472 | -0.630052 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1.075120 | 0.456926 | -0.467246 | 1.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.512582 | 0.043516 | 0.257907 | 0.000000 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.279990 | -0.003624 | 0.642520 | 0.000000 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
| 0.142420 | 0.001177 | 0.423637 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
| 0.068295 | -0.000167 | 0.066594 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: cc-pV5Z (16s13p12d3f2g1h)/[7s7p5d3f2g1h] basis set for ECP60MDF by K.A. Peterson et al, Ref 36.