MOLPRO Basis Query, element=Ca, basis=aug-cc-pwCVTZ, l=s
Basis Ca s aug-cc-pwCVTZ
| Primitives | Contractions... |
|---|
| 32463350.000000 | 0.000000 | -0.000000 | 0.000000 | -0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 4428379.000000 | 0.000003 | -0.000001 | 0.000000 | -0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 900751.900000 | 0.000021 | -0.000006 | 0.000002 | -0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 229634.500000 | 0.000099 | -0.000029 | 0.000010 | -0.000002 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 68474.780000 | 0.000403 | -0.000117 | 0.000040 | -0.000010 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 22925.980000 | 0.001440 | -0.000419 | 0.000144 | -0.000034 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 8394.560000 | 0.004635 | -0.001353 | 0.000467 | -0.000112 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 3301.053000 | 0.013637 | -0.004007 | 0.001382 | -0.000330 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1376.055000 | 0.036647 | -0.010980 | 0.003805 | -0.000910 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 602.118700 | 0.088482 | -0.027496 | 0.009534 | -0.002276 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 274.354200 | 0.183521 | -0.061919 | 0.021741 | -0.005208 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 129.314200 | 0.299972 | -0.118248 | 0.042029 | -0.010060 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 62.643180 | 0.324414 | -0.173688 | 0.064435 | -0.015554 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 30.701880 | 0.172924 | -0.119661 | 0.045855 | -0.011030 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 13.956300 | 0.025261 | 0.190723 | -0.080826 | 0.019607 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6.881278 | -0.000992 | 0.545246 | -0.320703 | 0.082674 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 3.401357 | 0.001009 | 0.385125 | -0.363467 | 0.096968 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1.500925 | -0.000461 | 0.053553 | 0.198280 | -0.062706 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.725314 | 0.000183 | -0.002332 | 0.696153 | -0.243470 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.335890 | -0.000086 | 0.001795 | 0.366216 | -0.288529 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.081853 | 0.000031 | -0.000423 | 0.014622 | 0.383689 | 1.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.040531 | -0.000025 | 0.000331 | -0.006720 | 0.597593 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.019449 | 0.000008 | -0.000104 | 0.001725 | 0.202879 | 0.000000 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1.627100 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
| 0.289830 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
| 0.009330 | 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)
| 