MOLPRO Basis Query, element=Ca, basis=cc-pVQZ-DK, l=p
Basis Ca p cc-pVQZ-DK
| Primitives | Contractions... |
|---|
| 126579.830000 | 0.000006 | -0.000002 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 19925.081000 | 0.000032 | -0.000010 | 0.000002 | 0.000000 | 0.000000 | 0.000000 |
| 5012.019300 | 0.000157 | -0.000051 | 0.000011 | 0.000000 | 0.000000 | 0.000000 |
| 1629.419400 | 0.000717 | -0.000234 | 0.000049 | 0.000000 | 0.000000 | 0.000000 |
| 620.126370 | 0.002949 | -0.000965 | 0.000201 | 0.000000 | 0.000000 | 0.000000 |
| 262.087690 | 0.010578 | -0.003477 | 0.000725 | 0.000000 | 0.000000 | 0.000000 |
| 119.192000 | 0.032574 | -0.010840 | 0.002261 | 0.000000 | 0.000000 | 0.000000 |
| 57.224771 | 0.084795 | -0.028784 | 0.006023 | 0.000000 | 0.000000 | 0.000000 |
| 28.605375 | 0.177793 | -0.062263 | 0.013041 | 0.000000 | 0.000000 | 0.000000 |
| 14.660365 | 0.286682 | -0.103653 | 0.021827 | 0.000000 | 0.000000 | 0.000000 |
| 7.645648 | 0.327847 | -0.126914 | 0.026809 | 0.000000 | 0.000000 | 0.000000 |
| 4.044768 | 0.213417 | -0.058725 | 0.011792 | 0.000000 | 0.000000 | 0.000000 |
| 2.128277 | 0.058972 | 0.153277 | -0.038217 | 0.000000 | 0.000000 | 0.000000 |
| 1.102175 | 0.004561 | 0.373202 | -0.089162 | 0.000000 | 0.000000 | 0.000000 |
| 0.565262 | 0.000538 | 0.402416 | -0.112581 | 0.000000 | 0.000000 | 0.000000 |
| 0.285883 | -0.000102 | 0.198940 | -0.081364 | 0.000000 | 0.000000 | 0.000000 |
| 0.128997 | 0.000039 | 0.028648 | 0.136955 | 0.000000 | 0.000000 | 0.000000 |
| 0.063899 | -0.000040 | -0.000355 | 0.454404 | 1.000000 | 0.000000 | 0.000000 |
| 0.031324 | 0.000015 | 0.001189 | 0.438042 | 0.000000 | 1.000000 | 0.000000 |
| 0.015222 | -0.000005 | -0.000215 | 0.108048 | 0.000000 | 0.000000 | 1.000000 |
Comment: J.G. Hill and K.A. Peterson, J. Chem. Phys. 147, 244106 (2017)
| 