MOLPRO Basis Query, element=Ca, basis=cc-pV5Z-old, l=s
Basis Ca s cc-pV5Z-old
| Primitives | Contractions... |
|---|
| 28249600.000000 | 0.000000 | -0.000000 | 0.000000 | -0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 4250190.000000 | 0.000003 | -0.000001 | 0.000000 | -0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 975014.000000 | 0.000017 | -0.000005 | 0.000002 | -0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 277446.000000 | 0.000072 | -0.000021 | 0.000007 | -0.000002 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 90454.700000 | 0.000265 | -0.000077 | 0.000027 | -0.000006 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 32515.900000 | 0.000875 | -0.000254 | 0.000088 | -0.000021 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 12610.600000 | 0.002650 | -0.000772 | 0.000266 | -0.000064 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 5190.770000 | 0.007484 | -0.002191 | 0.000756 | -0.000181 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2242.330000 | 0.019731 | -0.005836 | 0.002016 | -0.000482 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1011.530000 | 0.047798 | -0.014469 | 0.005012 | -0.001197 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 475.547000 | 0.103596 | -0.032804 | 0.011415 | -0.002729 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 232.072000 | 0.192930 | -0.066744 | 0.023454 | -0.005612 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 116.874000 | 0.286268 | -0.116687 | 0.041738 | -0.010013 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 60.342700 | 0.292785 | -0.159197 | 0.058943 | -0.014191 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 31.524400 | 0.163128 | -0.116207 | 0.045034 | -0.010922 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 16.030800 | 0.032217 | 0.105470 | -0.044376 | 0.010863 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 8.459920 | 0.000593 | 0.424835 | -0.218754 | 0.055015 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 4.527180 | 0.001048 | 0.457797 | -0.363630 | 0.096882 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2.418590 | -0.000384 | 0.166200 | -0.154221 | 0.039480 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1.251290 | 0.000158 | 0.014624 | 0.352382 | -0.108670 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.643430 | -0.000144 | 0.002047 | 0.614121 | -0.227283 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.329180 | 0.000058 | 0.000195 | 0.300373 | -0.257085 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.142390 | -0.000038 | 0.000151 | 0.022237 | -0.008448 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.078190 | 0.000024 | -0.000085 | -0.002666 | 0.448368 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
| 0.037630 | -0.000009 | 0.000033 | 0.000534 | 0.577040 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
| 0.018290 | 0.000002 | -0.000008 | -0.000091 | 0.162582 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: Koput and Peterson, J. Phys. Chem. A 106, 9595 (2002)
| 