MOLPRO Basis Query, element=Ca, basis=cc-pVQZ, l=s
Basis Ca s cc-pVQZ
| Primitives | Contractions... |
|---|
| 104228700.000000 | 0.000000 | -0.000000 | 0.000000 | -0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 21634510.000000 | 0.000000 | -0.000000 | 0.000000 | -0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 5829147.000000 | 0.000002 | -0.000000 | 0.000000 | -0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1811078.000000 | 0.000006 | -0.000002 | 0.000001 | -0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 629268.500000 | 0.000022 | -0.000006 | 0.000002 | -0.000001 | 0.000000 | 0.000000 | 0.000000 |
| 238191.300000 | 0.000069 | -0.000020 | 0.000007 | -0.000002 | 0.000000 | 0.000000 | 0.000000 |
| 96520.480000 | 0.000200 | -0.000058 | 0.000020 | -0.000005 | 0.000000 | 0.000000 | 0.000000 |
| 41302.140000 | 0.000545 | -0.000158 | 0.000055 | -0.000013 | 0.000000 | 0.000000 | 0.000000 |
| 18497.500000 | 0.001408 | -0.000410 | 0.000141 | -0.000034 | 0.000000 | 0.000000 | 0.000000 |
| 8614.498000 | 0.003468 | -0.001012 | 0.000349 | -0.000083 | 0.000000 | 0.000000 | 0.000000 |
| 4147.238000 | 0.008190 | -0.002401 | 0.000829 | -0.000198 | 0.000000 | 0.000000 | 0.000000 |
| 2053.041000 | 0.018537 | -0.005494 | 0.001900 | -0.000453 | 0.000000 | 0.000000 | 0.000000 |
| 1040.584000 | 0.039937 | -0.012069 | 0.004178 | -0.000999 | 0.000000 | 0.000000 | 0.000000 |
| 538.295100 | 0.080452 | -0.025240 | 0.008779 | -0.002097 | 0.000000 | 0.000000 | 0.000000 |
| 283.526200 | 0.146903 | -0.049236 | 0.017231 | -0.004125 | 0.000000 | 0.000000 | 0.000000 |
| 151.710600 | 0.230484 | -0.087192 | 0.030955 | -0.007410 | 0.000000 | 0.000000 | 0.000000 |
| 82.284880 | 0.282139 | -0.131537 | 0.047754 | -0.011491 | 0.000000 | 0.000000 | 0.000000 |
| 45.076630 | 0.228400 | -0.145444 | 0.055025 | -0.013256 | 0.000000 | 0.000000 | 0.000000 |
| 24.746400 | 0.095598 | -0.053014 | 0.020752 | -0.005097 | 0.000000 | 0.000000 | 0.000000 |
| 13.192210 | 0.013782 | 0.195633 | -0.085337 | 0.021071 | 0.000000 | 0.000000 | 0.000000 |
| 7.182846 | 0.000770 | 0.456912 | -0.258383 | 0.065715 | 0.000000 | 0.000000 | 0.000000 |
| 3.956080 | 0.000351 | 0.388850 | -0.343175 | 0.092605 | 0.000000 | 0.000000 | 0.000000 |
| 2.161123 | -0.000085 | 0.116765 | -0.070054 | 0.014725 | 0.000000 | 0.000000 | 0.000000 |
| 1.133806 | -0.000021 | 0.009219 | 0.409790 | -0.125316 | 0.000000 | 0.000000 | 0.000000 |
| 0.592725 | -0.000033 | 0.001651 | 0.590555 | -0.235052 | 0.000000 | 0.000000 | 0.000000 |
| 0.305007 | 0.000001 | 0.000219 | 0.252118 | -0.240236 | 0.000000 | 0.000000 | 0.000000 |
| 0.112700 | -0.000003 | 0.000079 | 0.014955 | 0.098698 | 0.000000 | 0.000000 | 0.000000 |
| 0.066039 | 0.000003 | -0.000054 | -0.004825 | 0.473279 | 1.000000 | 0.000000 | 0.000000 |
| 0.033769 | -0.000001 | 0.000022 | 0.001294 | 0.502687 | 0.000000 | 1.000000 | 0.000000 |
| 0.017026 | 0.000000 | -0.000005 | -0.000255 | 0.120474 | 0.000000 | 0.000000 | 1.000000 |
Comment: J.G. Hill and K.A. Peterson, J Chem. Phys. 147, 244106 (2017)
| 