MOLPRO Basis Query, element=Ca, basis=cc-pVQZ-DK, l=s
Basis Ca s cc-pVQZ-DK
| Primitives | Contractions... |
|---|
| 104228680.000000 | 0.000006 | -0.000002 | 0.000001 | -0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 21634511.000000 | 0.000012 | -0.000003 | 0.000001 | -0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 5829147.000000 | 0.000031 | -0.000009 | 0.000003 | -0.000001 | 0.000000 | 0.000000 | 0.000000 |
| 1811077.500000 | 0.000064 | -0.000019 | 0.000007 | -0.000002 | 0.000000 | 0.000000 | 0.000000 |
| 629268.530000 | 0.000136 | -0.000040 | 0.000014 | -0.000003 | 0.000000 | 0.000000 | 0.000000 |
| 238191.280000 | 0.000273 | -0.000080 | 0.000028 | -0.000007 | 0.000000 | 0.000000 | 0.000000 |
| 96520.483000 | 0.000546 | -0.000160 | 0.000055 | -0.000013 | 0.000000 | 0.000000 | 0.000000 |
| 41302.138000 | 0.001094 | -0.000321 | 0.000111 | -0.000027 | 0.000000 | 0.000000 | 0.000000 |
| 18497.500000 | 0.002224 | -0.000655 | 0.000226 | -0.000054 | 0.000000 | 0.000000 | 0.000000 |
| 8614.498400 | 0.004598 | -0.001359 | 0.000469 | -0.000112 | 0.000000 | 0.000000 | 0.000000 |
| 4147.238300 | 0.009675 | -0.002876 | 0.000993 | -0.000238 | 0.000000 | 0.000000 | 0.000000 |
| 2053.040800 | 0.020411 | -0.006138 | 0.002123 | -0.000507 | 0.000000 | 0.000000 | 0.000000 |
| 1040.583900 | 0.042198 | -0.012937 | 0.004482 | -0.001073 | 0.000000 | 0.000000 | 0.000000 |
| 538.295110 | 0.082870 | -0.026368 | 0.009178 | -0.002195 | 0.000000 | 0.000000 | 0.000000 |
| 283.526160 | 0.148828 | -0.050544 | 0.017700 | -0.004244 | 0.000000 | 0.000000 | 0.000000 |
| 151.710610 | 0.230811 | -0.088359 | 0.031389 | -0.007521 | 0.000000 | 0.000000 | 0.000000 |
| 82.284882 | 0.280056 | -0.131666 | 0.047821 | -0.011527 | 0.000000 | 0.000000 | 0.000000 |
| 45.076632 | 0.225177 | -0.143254 | 0.054182 | -0.013057 | 0.000000 | 0.000000 | 0.000000 |
| 24.746402 | 0.093772 | -0.047865 | 0.018550 | -0.004584 | 0.000000 | 0.000000 | 0.000000 |
| 13.192215 | 0.013464 | 0.201631 | -0.088495 | 0.021933 | 0.000000 | 0.000000 | 0.000000 |
| 7.182846 | 0.000760 | 0.457661 | -0.260458 | 0.066305 | 0.000000 | 0.000000 | 0.000000 |
| 3.956080 | 0.000341 | 0.383447 | -0.340076 | 0.092079 | 0.000000 | 0.000000 | 0.000000 |
| 2.161123 | -0.000082 | 0.113213 | -0.062363 | 0.012234 | 0.000000 | 0.000000 | 0.000000 |
| 1.133806 | -0.000021 | 0.008785 | 0.415203 | -0.127057 | 0.000000 | 0.000000 | 0.000000 |
| 0.592725 | -0.000032 | 0.001597 | 0.587334 | -0.236564 | 0.000000 | 0.000000 | 0.000000 |
| 0.305007 | 0.000001 | 0.000215 | 0.246751 | -0.235880 | 0.000000 | 0.000000 | 0.000000 |
| 0.112700 | -0.000003 | 0.000074 | 0.014294 | 0.105227 | 0.000000 | 0.000000 | 0.000000 |
| 0.066039 | 0.000003 | -0.000051 | -0.004565 | 0.472614 | 1.000000 | 0.000000 | 0.000000 |
| 0.033769 | -0.000001 | 0.000020 | 0.001216 | 0.500110 | 0.000000 | 1.000000 | 0.000000 |
| 0.017026 | 0.000000 | -0.000005 | -0.000238 | 0.117632 | 0.000000 | 0.000000 | 1.000000 |
Comment: J.G. Hill and K.A. Peterson, J. Chem. Phys. 147, 244106 (2017)
| 