MOLPRO Basis Query, element=Ca, basis=aug-cc-pwCVTZ, l=p
Basis Ca p aug-cc-pwCVTZ
| Primitives | Contractions... |
|---|
| 11873.020000 | 0.000036 | -0.000012 | 0.000002 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2257.513000 | 0.000443 | -0.000145 | 0.000030 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 658.388400 | 0.002960 | -0.000966 | 0.000202 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 235.412200 | 0.013979 | -0.004604 | 0.000959 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 94.945520 | 0.050539 | -0.016855 | 0.003526 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 41.496390 | 0.139456 | -0.048063 | 0.010042 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 19.086710 | 0.279837 | -0.099539 | 0.020969 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 9.029090 | 0.375326 | -0.143092 | 0.030085 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 4.404404 | 0.264478 | -0.085690 | 0.018038 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2.163408 | 0.068573 | 0.157180 | -0.040119 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1.069239 | 0.003797 | 0.404204 | -0.094798 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.527677 | 0.000637 | 0.410878 | -0.123700 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.256104 | -0.000154 | 0.172158 | -0.056992 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.098077 | 0.000041 | 0.016147 | 0.306170 | 1.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.043781 | -0.000031 | -0.001003 | 0.581017 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.019258 | 0.000008 | 0.000520 | 0.242290 | 0.000000 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1.711900 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
| 0.280510 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
| 0.008470 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: J.G. Hill and K.A. Peterson, J Chem. Phys. 147, 244106 (2017)
| 