MOLPRO Basis Query, element=Pa, basis=cc-pwCVQZ-X2C, l=p
Basis Pa p cc-pwCVQZ-X2C
| Primitives | Contractions... |
|---|
| 79473358.000000 | 0.000010 | -0.000012 | 0.000001 | -0.000002 | 0.000001 | -0.000000 | -0.000000 | 0.000001 | -0.000001 | 0.000001 | 0.000000 | 0.000000 | 0.000000 |
| 30169510.000000 | 0.000004 | -0.000005 | 0.000001 | -0.000001 | 0.000000 | -0.000000 | -0.000000 | 0.000000 | -0.000000 | 0.000001 | 0.000000 | 0.000000 | 0.000000 |
| 11536527.000000 | 0.000026 | -0.000031 | 0.000004 | -0.000004 | 0.000002 | -0.000000 | -0.000001 | 0.000002 | -0.000003 | 0.000003 | 0.000000 | 0.000000 | 0.000000 |
| 4600985.000000 | 0.000035 | -0.000042 | 0.000005 | -0.000006 | 0.000003 | -0.000001 | -0.000002 | 0.000003 | -0.000004 | 0.000005 | 0.000000 | 0.000000 | 0.000000 |
| 1901781.200000 | 0.000086 | -0.000104 | 0.000012 | -0.000015 | 0.000007 | -0.000002 | -0.000004 | 0.000007 | -0.000010 | 0.000011 | 0.000000 | 0.000000 | 0.000000 |
| 810996.810000 | 0.000153 | -0.000184 | 0.000022 | -0.000026 | 0.000012 | -0.000003 | -0.000008 | 0.000013 | -0.000017 | 0.000020 | 0.000000 | 0.000000 | 0.000000 |
| 355348.740000 | 0.000323 | -0.000389 | 0.000046 | -0.000055 | 0.000024 | -0.000006 | -0.000016 | 0.000027 | -0.000038 | 0.000043 | 0.000000 | 0.000000 | 0.000000 |
| 159723.560000 | 0.000628 | -0.000758 | 0.000090 | -0.000107 | 0.000048 | -0.000011 | -0.000031 | 0.000052 | -0.000072 | 0.000082 | 0.000000 | 0.000000 | 0.000000 |
| 73559.638000 | 0.001300 | -0.001574 | 0.000187 | -0.000222 | 0.000099 | -0.000024 | -0.000065 | 0.000109 | -0.000156 | 0.000177 | 0.000000 | 0.000000 | 0.000000 |
| 34691.226000 | 0.002675 | -0.003251 | 0.000389 | -0.000460 | 0.000206 | -0.000049 | -0.000134 | 0.000223 | -0.000305 | 0.000348 | 0.000000 | 0.000000 | 0.000000 |
| 16755.441000 | 0.005687 | -0.006944 | 0.000840 | -0.000987 | 0.000442 | -0.000106 | -0.000288 | 0.000486 | -0.000700 | 0.000794 | 0.000000 | 0.000000 | 0.000000 |
| 8290.961600 | 0.012154 | -0.014960 | 0.001834 | -0.002138 | 0.000957 | -0.000230 | -0.000622 | 0.001035 | -0.001402 | 0.001601 | 0.000000 | 0.000000 | 0.000000 |
| 4207.450000 | 0.025932 | -0.032290 | 0.004042 | -0.004663 | 0.002088 | -0.000501 | -0.001359 | 0.002299 | -0.003348 | 0.003797 | 0.000000 | 0.000000 | 0.000000 |
| 2193.302000 | 0.053146 | -0.067407 | 0.008702 | -0.009858 | 0.004409 | -0.001059 | -0.002866 | 0.004760 | -0.006362 | 0.007277 | 0.000000 | 0.000000 | 0.000000 |
| 1174.909900 | 0.100086 | -0.130316 | 0.017583 | -0.019479 | 0.008721 | -0.002095 | -0.005680 | 0.009652 | -0.014307 | 0.016219 | 0.000000 | 0.000000 | 0.000000 |
| 645.420980 | 0.162284 | -0.218740 | 0.031133 | -0.033475 | 0.014963 | -0.003594 | -0.009720 | 0.016030 | -0.020677 | 0.023754 | 0.000000 | 0.000000 | 0.000000 |
| 362.800390 | 0.207833 | -0.285848 | 0.042031 | -0.044588 | 0.019976 | -0.004800 | -0.013032 | 0.022520 | -0.035738 | 0.040282 | 0.000000 | 0.000000 | 0.000000 |
| 207.772110 | 0.195513 | -0.215020 | 0.017739 | -0.025775 | 0.011459 | -0.002747 | -0.007370 | 0.010956 | -0.006287 | 0.007663 | 0.000000 | 0.000000 | 0.000000 |
| 120.530900 | 0.158072 | 0.068827 | -0.084196 | 0.050514 | -0.022511 | 0.005425 | 0.014619 | -0.021988 | 0.013541 | -0.018517 | 0.000000 | 0.000000 | 0.000000 |
| 70.731058 | 0.169152 | 0.421983 | -0.261259 | 0.179692 | -0.081266 | 0.019620 | 0.053579 | -0.096227 | 0.173561 | -0.200179 | 0.000000 | 0.000000 | 0.000000 |
| 41.871842 | 0.154494 | 0.457995 | -0.273663 | 0.183201 | -0.081596 | 0.019654 | 0.053049 | -0.080440 | 0.051628 | -0.065505 | 0.000000 | 0.000000 | 0.000000 |
| 24.577007 | 0.066449 | 0.156763 | 0.105404 | -0.079311 | 0.037918 | -0.009312 | -0.025528 | 0.031634 | 0.046975 | -0.016526 | 0.000000 | 0.000000 | 0.000000 |
| 14.214326 | 0.007226 | -0.086109 | 0.544861 | -0.445104 | 0.218724 | -0.053773 | -0.148633 | 0.285254 | -0.622263 | 0.762891 | 0.000000 | 0.000000 | 0.000000 |
| 8.297189 | -0.001763 | -0.092388 | 0.454010 | -0.410463 | 0.199473 | -0.048965 | -0.134348 | 0.190633 | 0.054827 | -0.181789 | 1.000000 | 0.000000 | 0.000000 |
| 4.761159 | -0.000522 | -0.024166 | 0.123475 | 0.217982 | -0.153489 | 0.039783 | 0.121079 | -0.199412 | -0.078633 | 0.116725 | 0.000000 | 1.000000 | 0.000000 |
| 2.693088 | 0.000147 | 0.001280 | 0.008351 | 0.624924 | -0.443028 | 0.117542 | 0.321201 | -0.683084 | 2.247500 | -4.074440 | 0.000000 | 0.000000 | 0.000000 |
| 1.516457 | 0.000093 | 0.001362 | 0.001137 | 0.358653 | -0.265123 | 0.071475 | 0.273425 | -0.408167 | -2.006160 | 8.343430 | 0.000000 | 0.000000 | 0.000000 |
| 0.843705 | 0.000032 | 0.000455 | -0.000285 | 0.078114 | 0.244274 | -0.083459 | -0.529385 | 1.779290 | -2.071210 | -6.887470 | 0.000000 | 0.000000 | 0.000000 |
| 0.455219 | -0.000001 | 0.000004 | 0.000217 | 0.024635 | 0.531448 | -0.187562 | -0.507528 | 0.166107 | 3.990970 | 0.893795 | 0.000000 | 0.000000 | 0.000000 |
| 0.245604 | 0.000005 | 0.000062 | -0.000035 | 0.013624 | 0.371429 | -0.188196 | -0.005163 | -1.564760 | -1.257990 | 3.732590 | 0.000000 | 0.000000 | 0.000000 |
| 0.128694 | -0.000001 | -0.000010 | 0.000061 | 0.003799 | 0.103845 | 0.017767 | 0.534988 | -0.111444 | -1.382190 | -3.629220 | 0.000000 | 0.000000 | 0.000000 |
| 0.060911 | 0.000001 | 0.000007 | -0.000016 | 0.000274 | 0.010071 | 0.420404 | 0.529566 | 0.822427 | 0.833826 | 0.952327 | 0.000000 | 0.000000 | 0.000000 |
| 0.029168 | -0.000000 | -0.000003 | 0.000008 | 0.000053 | 0.001037 | 0.536752 | 0.076770 | 0.150363 | 0.271348 | 0.383806 | 0.000000 | 0.000000 | 0.000000 |
| 0.013803 | 0.000000 | 0.000001 | -0.000002 | -0.000007 | -0.000016 | 0.164014 | 0.004479 | 0.006330 | -0.000876 | 0.018919 | 0.000000 | 0.000000 | 1.000000 |
Comment: R. Feng and K.A. Peterson, J. Chem. Phys. 147, 084108 (2017)
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