MOLPRO Basis Query, element=Tl, basis=aug-cc-pVQZ-PP, l=p
Basis Tl p aug-cc-pVQZ-PP
| Primitives | Contractions... |
|---|
| 42.524000 | 0.001605 | -0.000130 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 21.395700 | -0.023159 | 0.003855 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 13.373700 | 0.111738 | -0.024143 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6.613370 | -0.346472 | 0.085708 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2.042170 | 0.475073 | -0.147133 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1.114490 | 0.486335 | -0.142005 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.598006 | 0.205139 | -0.074734 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.300337 | 0.030709 | 0.148281 | 1.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.129777 | 0.001839 | 0.411928 | 0.000000 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.056435 | 0.000197 | 0.460073 | 0.000000 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
| 0.024493 | 0.000016 | 0.161449 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
| 0.008100 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: aug-cc-pVQZ (15s12p12d3f2g)/[7s7p5d3f2g] basis set for ECP60MDF by K.A. Peterson, Ref 35.
| 