MOLPRO Basis Query, element=Ca, basis=aug-cc-pwCVTZ-DK, l=p
Basis Ca p aug-cc-pwCVTZ-DK
| Primitives | Contractions... |
|---|
| 11873.024000 | 0.000080 | -0.000026 | 0.000005 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2257.513400 | 0.000579 | -0.000189 | 0.000039 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 658.388430 | 0.003280 | -0.001071 | 0.000224 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 235.412240 | 0.014619 | -0.004820 | 0.001004 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 94.945524 | 0.051607 | -0.017226 | 0.003603 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 41.496393 | 0.140690 | -0.048509 | 0.010133 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 19.086708 | 0.280434 | -0.099727 | 0.021003 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 9.029090 | 0.374647 | -0.142727 | 0.029998 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 4.404404 | 0.263153 | -0.084460 | 0.017755 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2.163408 | 0.068152 | 0.158217 | -0.040332 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1.069239 | 0.003777 | 0.404107 | -0.094731 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.527677 | 0.000637 | 0.409992 | -0.123577 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.256104 | -0.000156 | 0.171900 | -0.056478 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.098077 | 0.000041 | 0.016265 | 0.306345 | 1.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.043781 | -0.000031 | -0.001023 | 0.580101 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.019258 | 0.000009 | 0.000527 | 0.242962 | 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)
| 