MOLPRO Basis Query, element=Ca, basis=aug-cc-pwCVQZ-X, l=s
Basis Ca s aug-cc-pwCVQZ-X
| Primitives | Contractions... |
|---|
| 104228680.000000 | 0.000005 | -0.000001 | 0.000001 | -0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 21634511.000000 | 0.000009 | -0.000003 | 0.000001 | -0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 5829147.000000 | 0.000024 | -0.000007 | 0.000002 | -0.000001 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1811077.500000 | 0.000050 | -0.000015 | 0.000005 | -0.000001 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 629268.530000 | 0.000108 | -0.000032 | 0.000011 | -0.000003 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 238191.280000 | 0.000224 | -0.000066 | 0.000023 | -0.000005 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 96520.483000 | 0.000470 | -0.000138 | 0.000048 | -0.000011 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 41302.138000 | 0.000991 | -0.000292 | 0.000101 | -0.000024 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 18497.500000 | 0.002111 | -0.000622 | 0.000215 | -0.000051 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 8614.498400 | 0.004510 | -0.001334 | 0.000461 | -0.000110 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 4147.238300 | 0.009642 | -0.002867 | 0.000990 | -0.000237 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2053.040800 | 0.020427 | -0.006143 | 0.002125 | -0.000508 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1040.583900 | 0.042226 | -0.012946 | 0.004485 | -0.001074 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 538.295110 | 0.082893 | -0.026375 | 0.009180 | -0.002195 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 283.526160 | 0.148844 | -0.050550 | 0.017702 | -0.004245 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 151.710610 | 0.230821 | -0.088363 | 0.031390 | -0.007521 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 82.284882 | 0.280057 | -0.131667 | 0.047822 | -0.011527 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 45.076632 | 0.225169 | -0.143251 | 0.054181 | -0.013057 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 24.746402 | 0.093765 | -0.047855 | 0.018546 | -0.004583 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 13.192215 | 0.013462 | 0.201644 | -0.088501 | 0.021935 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 7.182846 | 0.000759 | 0.457664 | -0.260462 | 0.066306 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 3.956080 | 0.000341 | 0.383437 | -0.340071 | 0.092078 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2.161123 | -0.000082 | 0.113205 | -0.062348 | 0.012229 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1.133806 | -0.000021 | 0.008784 | 0.415215 | -0.127062 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.592725 | -0.000032 | 0.001597 | 0.587328 | -0.236568 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.305007 | 0.000001 | 0.000215 | 0.246740 | -0.235870 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.112700 | -0.000003 | 0.000074 | 0.014293 | 0.105242 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.066039 | 0.000003 | -0.000051 | -0.004565 | 0.472612 | 1.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.033769 | -0.000001 | 0.000020 | 0.001216 | 0.500104 | 0.000000 | 1.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.017026 | 0.000000 | -0.000005 | -0.000238 | 0.117626 | 0.000000 | 0.000000 | 1.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 5.463100 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1.730500 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
| 0.777240 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
| 0.006810 | 0.000000 | 0.000000 | 0.000000 | 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)
| 