MOLPRO Basis Query, element=At, basis=cc-pVQZ-PP, l=s
Basis At s cc-pVQZ-PP
| Primitives | Contractions... |
|---|
| 9090.280000 | 0.000035 | 0.000019 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1373.070000 | 0.000242 | 0.000127 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 307.950000 | 0.000815 | 0.000456 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 48.017600 | 0.008465 | 0.003675 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 23.909900 | -0.147333 | -0.068206 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 14.933400 | 0.632415 | 0.317399 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 9.331710 | -0.616406 | -0.363749 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 5.832060 | -0.619258 | -0.272537 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2.287870 | 0.785124 | 0.534432 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1.249830 | 0.656121 | 0.612899 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.575368 | 0.086170 | -0.063656 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.331459 | -0.010246 | -0.641725 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
| 0.163367 | 0.002712 | -0.532364 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
| 0.076210 | -0.000414 | -0.104371 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: cc-pVQZ (14s11p11d2f1g)/[6s6p4d2f1g] basis set for ECP60MDF by K.A. Peterson et al, Ref 36.
| 