MOLPRO Basis Query, element=Ca, basis=aug-cc-pVDZ, l=s
Basis Ca s aug-cc-pVDZ
| Primitives | Contractions... |
|---|
| 634294.000000 | 0.000053 | -0.000015 | 0.000005 | -0.000001 | 0.000000 | 0.000000 |
| 81314.340000 | 0.000498 | -0.000145 | 0.000050 | -0.000012 | 0.000000 | 0.000000 |
| 16764.790000 | 0.002916 | -0.000844 | 0.000292 | -0.000070 | 0.000000 | 0.000000 |
| 4429.730000 | 0.013086 | -0.003863 | 0.001329 | -0.000317 | 0.000000 | 0.000000 |
| 1371.988000 | 0.048111 | -0.014269 | 0.004961 | -0.001191 | 0.000000 | 0.000000 |
| 475.488100 | 0.142721 | -0.045771 | 0.015837 | -0.003769 | 0.000000 | 0.000000 |
| 179.307600 | 0.314824 | -0.112259 | 0.040014 | -0.009661 | 0.000000 | 0.000000 |
| 72.404090 | 0.406967 | -0.209337 | 0.075503 | -0.017956 | 0.000000 | 0.000000 |
| 30.658990 | 0.207434 | -0.118169 | 0.048832 | -0.012346 | 0.000000 | 0.000000 |
| 9.836987 | 0.016618 | 0.498551 | -0.253013 | 0.064850 | 0.000000 | 0.000000 |
| 3.999459 | -0.002565 | 0.614790 | -0.480449 | 0.124213 | 0.000000 | 0.000000 |
| 1.027010 | 0.000840 | 0.058924 | 0.565877 | -0.173178 | 0.000000 | 0.000000 |
| 0.426655 | -0.000448 | -0.013454 | 0.658327 | -0.379988 | 0.000000 | 0.000000 |
| 0.063634 | 0.000120 | 0.003291 | 0.025917 | 0.657570 | 0.000000 | 0.000000 |
| 0.026263 | -0.000060 | -0.001624 | -0.009513 | 0.493284 | 1.000000 | 0.000000 |
| 0.010840 | 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)
| 