MOLPRO Basis Query, element=Cs, basis=aug-cc-pwCVQZ-X, l=s
Basis Cs s aug-cc-pwCVQZ-X
| Primitives | Contractions... |
|---|
| 75699365.000000 | 0.000207 | -0.000073 | 0.000033 | 0.000015 | -0.000006 | -0.000001 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 20132976.000000 | 0.000177 | -0.000063 | 0.000028 | 0.000013 | -0.000005 | -0.000001 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6894908.200000 | 0.000534 | -0.000188 | 0.000085 | 0.000039 | -0.000015 | -0.000003 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2628184.300000 | 0.000695 | -0.000246 | 0.000111 | 0.000051 | -0.000019 | -0.000004 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1091769.700000 | 0.001438 | -0.000509 | 0.000230 | 0.000106 | -0.000040 | -0.000009 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 478066.200000 | 0.002201 | -0.000782 | 0.000353 | 0.000163 | -0.000061 | -0.000014 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 218788.500000 | 0.004058 | -0.001445 | 0.000653 | 0.000301 | -0.000113 | -0.000026 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 103644.240000 | 0.006704 | -0.002402 | 0.001087 | 0.000501 | -0.000188 | -0.000043 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 50650.452000 | 0.011983 | -0.004323 | 0.001958 | 0.000903 | -0.000340 | -0.000078 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 25428.361000 | 0.020602 | -0.007520 | 0.003412 | 0.001574 | -0.000592 | -0.000137 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 13075.096000 | 0.036466 | -0.013530 | 0.006155 | 0.002841 | -0.001069 | -0.000247 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6870.510300 | 0.062523 | -0.023834 | 0.010886 | 0.005031 | -0.001892 | -0.000437 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 3686.641000 | 0.104642 | -0.041628 | 0.019142 | 0.008856 | -0.003333 | -0.000769 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2017.515700 | 0.162324 | -0.069372 | 0.032254 | 0.014964 | -0.005632 | -0.001300 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1123.644900 | 0.223971 | -0.107391 | 0.050885 | 0.023691 | -0.008929 | -0.002061 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 636.761840 | 0.246598 | -0.141040 | 0.068855 | 0.032301 | -0.012178 | -0.002810 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 368.554500 | 0.190326 | -0.130189 | 0.066137 | 0.031228 | -0.011827 | -0.002733 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 221.358150 | 0.082422 | -0.031889 | 0.014845 | 0.007076 | -0.002599 | -0.000594 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 147.666160 | 0.020815 | 0.097778 | -0.064391 | -0.032452 | 0.012260 | 0.002822 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 97.974350 | 0.004575 | 0.285969 | -0.218310 | -0.112752 | 0.043677 | 0.010128 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 61.111253 | 0.000434 | 0.416813 | -0.398460 | -0.217796 | 0.084518 | 0.019564 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 36.943984 | -0.000134 | 0.285407 | -0.327306 | -0.186852 | 0.074177 | 0.017256 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 22.041698 | 0.000109 | 0.078656 | 0.117397 | 0.073012 | -0.029156 | -0.006820 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 13.605097 | -0.000184 | 0.006444 | 0.579459 | 0.543857 | -0.240682 | -0.056628 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 8.475589 | 0.000131 | 0.001373 | 0.479488 | 0.614403 | -0.288044 | -0.068391 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 5.355106 | -0.000111 | -0.000400 | 0.164778 | 0.128711 | -0.037714 | -0.008049 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 3.449981 | 0.000081 | 0.000008 | 0.026491 | -0.422072 | 0.226181 | 0.053517 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2.149523 | -0.000039 | -0.000138 | 0.003922 | -0.692357 | 0.546918 | 0.141820 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1.266467 | 0.000018 | 0.000003 | 0.000541 | -0.351574 | 0.410381 | 0.109157 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.641442 | -0.000009 | -0.000003 | 0.000006 | -0.039273 | -0.250090 | -0.085843 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.364796 | 0.000006 | 0.000008 | -0.000100 | 0.003476 | -0.631152 | -0.197869 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.202861 | -0.000004 | -0.000001 | -0.000003 | -0.002586 | -0.431509 | -0.219173 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.110752 | 0.000002 | 0.000002 | -0.000015 | 0.000838 | -0.087358 | -0.181794 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.050079 | -0.000001 | -0.000001 | 0.000007 | -0.000549 | -0.001605 | 0.115229 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.030306 | 0.000001 | 0.000001 | -0.000005 | 0.000418 | -0.000573 | 0.491542 | 1.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.017328 | -0.000000 | -0.000000 | 0.000002 | -0.000166 | -0.000241 | 0.492857 | 0.000000 | 1.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.009552 | 0.000000 | 0.000000 | -0.000000 | 0.000037 | -0.000109 | 0.118282 | 0.000000 | 0.000000 | 1.000000 | 0.000000 | 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 | 0.000000 |
| 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 | 0.000000 |
| 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 | 0.000000 |
| 0.005270 | 0.000000 | 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)