MOLPRO Basis Query, element=Ca, basis=cc-pVQZ-old, l=s
Basis Ca s cc-pVQZ-old
| Primitives | Contractions... |
|---|
| 7503960.000000 | 0.000002 | -0.000001 | 0.000000 | -0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1123486.000000 | 0.000017 | -0.000005 | 0.000002 | -0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 255663.500000 | 0.000092 | -0.000027 | 0.000009 | -0.000002 | 0.000000 | 0.000000 | 0.000000 |
| 72416.060000 | 0.000388 | -0.000113 | 0.000039 | -0.000009 | 0.000000 | 0.000000 | 0.000000 |
| 23626.040000 | 0.001412 | -0.000410 | 0.000141 | -0.000034 | 0.000000 | 0.000000 | 0.000000 |
| 8529.986000 | 0.004594 | -0.001341 | 0.000463 | -0.000111 | 0.000000 | 0.000000 | 0.000000 |
| 3327.341000 | 0.013597 | -0.003994 | 0.001377 | -0.000329 | 0.000000 | 0.000000 | 0.000000 |
| 1380.354000 | 0.036674 | -0.010989 | 0.003808 | -0.000910 | 0.000000 | 0.000000 | 0.000000 |
| 602.214900 | 0.088721 | -0.027564 | 0.009556 | -0.002281 | 0.000000 | 0.000000 | 0.000000 |
| 273.887400 | 0.184149 | -0.062162 | 0.021831 | -0.005231 | 0.000000 | 0.000000 | 0.000000 |
| 128.945100 | 0.300742 | -0.118605 | 0.042150 | -0.010084 | 0.000000 | 0.000000 | 0.000000 |
| 62.422990 | 0.324348 | -0.174105 | 0.064628 | -0.015613 | 0.000000 | 0.000000 | 0.000000 |
| 30.574370 | 0.171957 | -0.118477 | 0.045360 | -0.010883 | 0.000000 | 0.000000 | 0.000000 |
| 13.855220 | 0.024809 | 0.194575 | -0.082499 | 0.019958 | 0.000000 | 0.000000 | 0.000000 |
| 6.836204 | -0.001034 | 0.546611 | -0.323151 | 0.083489 | 0.000000 | 0.000000 | 0.000000 |
| 3.378153 | 0.001013 | 0.381263 | -0.360635 | 0.095950 | 0.000000 | 0.000000 | 0.000000 |
| 1.491907 | -0.000467 | 0.051879 | 0.204390 | -0.063958 | 0.000000 | 0.000000 | 0.000000 |
| 0.721140 | 0.000187 | -0.002050 | 0.696101 | -0.245225 | 0.000000 | 0.000000 | 0.000000 |
| 0.334152 | -0.000088 | 0.001688 | 0.361775 | -0.285847 | 0.000000 | 0.000000 | 0.000000 |
| 0.082382 | 0.000033 | -0.000397 | 0.014219 | 0.370133 | 1.000000 | 0.000000 | 0.000000 |
| 0.041655 | -0.000026 | 0.000312 | -0.006419 | 0.590956 | 0.000000 | 1.000000 | 0.000000 |
| 0.019973 | 0.000008 | -0.000095 | 0.001571 | 0.223208 | 0.000000 | 0.000000 | 1.000000 |
Comment: Koput and Peterson, J. Phys. Chem. A 106, 9595 (2002)
| 