MOLPRO Basis Query, element=Cs, basis=cc-pwCVQZ-DK3, l=s
Basis Cs s cc-pwCVQZ-DK3
| Primitives | Contractions... |
|---|
| 75699365.000000 | 0.000180 | -0.000063 | 0.000028 | 0.000013 | -0.000005 | -0.000001 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 20132976.000000 | 0.000182 | -0.000064 | 0.000029 | 0.000013 | -0.000005 | -0.000001 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6894908.200000 | 0.000522 | -0.000183 | 0.000082 | 0.000038 | -0.000014 | -0.000003 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2628184.300000 | 0.000758 | -0.000266 | 0.000120 | 0.000055 | -0.000021 | -0.000005 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1091769.700000 | 0.001519 | -0.000534 | 0.000241 | 0.000111 | -0.000042 | -0.000010 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 478066.200000 | 0.002445 | -0.000861 | 0.000389 | 0.000179 | -0.000067 | -0.000016 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 218788.500000 | 0.004391 | -0.001552 | 0.000701 | 0.000323 | -0.000121 | -0.000028 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 103644.240000 | 0.007301 | -0.002596 | 0.001173 | 0.000541 | -0.000203 | -0.000047 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 50650.452000 | 0.012675 | -0.004543 | 0.002056 | 0.000948 | -0.000356 | -0.000082 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 25428.361000 | 0.021461 | -0.007788 | 0.003531 | 0.001629 | -0.000613 | -0.000141 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 13075.096000 | 0.037075 | -0.013701 | 0.006229 | 0.002875 | -0.001081 | -0.000250 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6870.510300 | 0.062839 | -0.023896 | 0.010911 | 0.005042 | -0.001896 | -0.000438 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 3686.641000 | 0.104346 | -0.041474 | 0.019069 | 0.008822 | -0.003320 | -0.000766 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2017.515700 | 0.161932 | -0.069189 | 0.032169 | 0.014925 | -0.005617 | -0.001296 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1123.644900 | 0.223537 | -0.107198 | 0.050795 | 0.023650 | -0.008914 | -0.002058 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 636.761840 | 0.246540 | -0.140997 | 0.068834 | 0.032291 | -0.012175 | -0.002810 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 368.554500 | 0.190152 | -0.130116 | 0.066103 | 0.031213 | -0.011821 | -0.002732 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 221.358150 | 0.082598 | -0.031961 | 0.014880 | 0.007093 | -0.002605 | -0.000595 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 147.666160 | 0.020594 | 0.097863 | -0.064431 | -0.032471 | 0.012267 | 0.002824 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 97.974350 | 0.004753 | 0.285886 | -0.218269 | -0.112733 | 0.043670 | 0.010127 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 61.111253 | 0.000314 | 0.416860 | -0.398483 | -0.217807 | 0.084523 | 0.019566 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 36.943984 | -0.000050 | 0.285359 | -0.327275 | -0.186836 | 0.074172 | 0.017255 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 22.041698 | 0.000041 | 0.078686 | 0.117391 | 0.073014 | -0.029158 | -0.006820 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 13.605097 | -0.000125 | 0.006411 | 0.579482 | 0.543875 | -0.240692 | -0.056633 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 8.475589 | 0.000081 | 0.001401 | 0.479463 | 0.614387 | -0.288041 | -0.068393 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 5.355106 | -0.000071 | -0.000423 | 0.164785 | 0.128701 | -0.037706 | -0.008048 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 3.449981 | 0.000054 | 0.000024 | 0.026478 | -0.422092 | 0.226195 | 0.053522 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2.149523 | -0.000025 | -0.000147 | 0.003928 | -0.692349 | 0.546926 | 0.141826 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1.266467 | 0.000012 | 0.000007 | 0.000539 | -0.351564 | 0.410366 | 0.109158 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.641442 | -0.000006 | -0.000005 | 0.000007 | -0.039269 | -0.250117 | -0.085856 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.364796 | 0.000004 | 0.000009 | -0.000101 | 0.003475 | -0.631152 | -0.197879 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.202861 | -0.000002 | -0.000002 | -0.000003 | -0.002585 | -0.431494 | -0.219180 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.110752 | 0.000001 | 0.000002 | -0.000016 | 0.000837 | -0.087351 | -0.181777 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.050079 | -0.000001 | -0.000001 | 0.000007 | -0.000549 | -0.001606 | 0.115261 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.030306 | 0.000001 | 0.000001 | -0.000006 | 0.000417 | -0.000572 | 0.491546 | 1.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.017328 | -0.000000 | -0.000000 | 0.000003 | -0.000166 | -0.000241 | 0.492838 | 0.000000 | 1.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.009552 | 0.000000 | 0.000000 | -0.000000 | 0.000037 | -0.000109 | 0.118267 | 0.000000 | 0.000000 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
| 3.031390 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
| 0.814210 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
| 0.218690 | 0.000000 | 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)