MOLPRO Basis Query, element=At, basis=V5Z-PP, l=p
Basis At p V5Z-PP
| Primitives | Contractions... |
|---|
| 328.975000 | 0.000118 | -0.000051 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 69.372800 | 0.000803 | -0.000280 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 21.679900 | -0.020332 | 0.006764 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 13.545100 | 0.168176 | -0.063132 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 8.463720 | -0.352170 | 0.147246 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 5.287630 | -0.104699 | 0.020199 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2.727220 | 0.442848 | -0.194672 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1.536630 | 0.540752 | -0.279381 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.842333 | 0.227592 | -0.080087 | 1.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.422043 | 0.028553 | 0.293286 | 0.000000 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.209057 | 0.001538 | 0.480339 | 0.000000 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
| 0.100615 | 0.000884 | 0.345911 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
| 0.046920 | 0.000064 | 0.080655 | 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.