MOLPRO Basis Query, element=Pa, basis=cc-pwCVQZ-X2C, l=s
Basis Pa s cc-pwCVQZ-X2C
| Primitives | Contractions... |
|---|
| 57615872.000000 | -0.001422 | 0.002413 | -0.001031 | -0.000162 | 0.000138 | -0.000062 | 0.000029 | 0.000051 | 0.000067 | -0.000085 | 0.000092 | 0.000000 | 0.000000 | 0.000000 |
| 15337661.000000 | -0.000939 | 0.001591 | -0.000682 | -0.000107 | 0.000091 | -0.000041 | 0.000019 | 0.000034 | 0.000044 | -0.000056 | 0.000061 | 0.000000 | 0.000000 | 0.000000 |
| 5247818.800000 | -0.003034 | 0.005142 | -0.002203 | -0.000346 | 0.000294 | -0.000133 | 0.000061 | 0.000110 | 0.000144 | -0.000181 | 0.000197 | 0.000000 | 0.000000 | 0.000000 |
| 1996597.300000 | -0.003101 | 0.005238 | -0.002260 | -0.000355 | 0.000302 | -0.000137 | 0.000063 | 0.000113 | 0.000147 | -0.000186 | 0.000202 | 0.000000 | 0.000000 | 0.000000 |
| 833932.670000 | -0.006660 | 0.011236 | -0.004860 | -0.000765 | 0.000650 | -0.000294 | 0.000135 | 0.000243 | 0.000317 | -0.000400 | 0.000434 | 0.000000 | 0.000000 | 0.000000 |
| 369703.800000 | -0.008107 | 0.013586 | -0.005954 | -0.000940 | 0.000798 | -0.000361 | 0.000166 | 0.000299 | 0.000390 | -0.000492 | 0.000534 | 0.000000 | 0.000000 | 0.000000 |
| 172969.670000 | -0.014796 | 0.024694 | -0.010911 | -0.001725 | 0.001464 | -0.000662 | 0.000304 | 0.000548 | 0.000714 | -0.000899 | 0.000976 | 0.000000 | 0.000000 | 0.000000 |
| 84248.697000 | -0.019721 | 0.032534 | -0.014707 | -0.002337 | 0.001980 | -0.000895 | 0.000411 | 0.000741 | 0.000967 | -0.001225 | 0.001328 | 0.000000 | 0.000000 | 0.000000 |
| 42539.180000 | -0.033220 | 0.054293 | -0.024994 | -0.003988 | 0.003373 | -0.001525 | 0.000700 | 0.001262 | 0.001645 | -0.002060 | 0.002242 | 0.000000 | 0.000000 | 0.000000 |
| 22119.585000 | -0.045988 | 0.073668 | -0.035257 | -0.005675 | 0.004784 | -0.002163 | 0.000993 | 0.001791 | 0.002342 | -0.002987 | 0.003233 | 0.000000 | 0.000000 | 0.000000 |
| 11827.306000 | -0.071782 | 0.112694 | -0.056052 | -0.009103 | 0.007649 | -0.003458 | 0.001588 | 0.002860 | 0.003723 | -0.004607 | 0.005031 | 0.000000 | 0.000000 | 0.000000 |
| 6502.026300 | -0.093457 | 0.141236 | -0.075508 | -0.012462 | 0.010411 | -0.004708 | 0.002163 | 0.003904 | 0.005122 | -0.006679 | 0.007189 | 0.000000 | 0.000000 | 0.000000 |
| 3686.032000 | -0.123474 | 0.179170 | -0.103258 | -0.017347 | 0.014402 | -0.006512 | 0.002990 | 0.005376 | 0.006953 | -0.008222 | 0.009102 | 0.000000 | 0.000000 | 0.000000 |
| 2157.885600 | -0.123741 | 0.169136 | -0.108748 | -0.018709 | 0.015403 | -0.006971 | 0.003203 | 0.005808 | 0.007739 | -0.011060 | 0.011636 | 0.000000 | 0.000000 | 0.000000 |
| 1296.087200 | -0.109882 | 0.152865 | -0.094529 | -0.016056 | 0.013279 | -0.005998 | 0.002753 | 0.004888 | 0.006041 | -0.004783 | 0.006018 | 0.000000 | 0.000000 | 0.000000 |
| 787.315980 | -0.026884 | 0.083695 | 0.006494 | 0.004942 | -0.003041 | 0.001376 | -0.000628 | -0.000992 | -0.000627 | -0.004930 | 0.003593 | 0.000000 | 0.000000 | 0.000000 |
| 478.704800 | 0.075502 | 0.064545 | 0.200204 | 0.054605 | -0.039620 | 0.018050 | -0.008308 | -0.015325 | -0.021499 | 0.039113 | -0.039481 | 0.000000 | 0.000000 | 0.000000 |
| 296.304470 | 0.170357 | 0.040021 | 0.452866 | 0.136581 | -0.097515 | 0.044379 | -0.020388 | -0.036256 | -0.044672 | 0.033068 | -0.043311 | 0.000000 | 0.000000 | 0.000000 |
| 187.576020 | 0.130511 | 0.050246 | 0.518395 | 0.180975 | -0.126047 | 0.057705 | -0.026590 | -0.049389 | -0.070425 | 0.134539 | -0.135939 | 0.000000 | 0.000000 | 0.000000 |
| 120.138020 | 0.103974 | 0.019111 | 0.306203 | 0.107596 | -0.076848 | 0.035164 | -0.016133 | -0.027154 | -0.026182 | -0.040437 | 0.027451 | 0.000000 | 0.000000 | 0.000000 |
| 73.061804 | 0.166037 | 0.050066 | -0.258199 | -0.245560 | 0.163930 | -0.076614 | 0.035311 | 0.060732 | 0.063501 | 0.051203 | -0.021808 | 0.000000 | 0.000000 | 0.000000 |
| 47.655058 | 0.254229 | 0.052860 | -0.599400 | -0.628322 | 0.440355 | -0.210038 | 0.097577 | 0.187247 | 0.283536 | -0.615338 | 0.665850 | 0.000000 | 0.000000 | 0.000000 |
| 30.557364 | 0.182335 | 0.049968 | -0.453190 | -0.529935 | 0.364294 | -0.172031 | 0.079420 | 0.135556 | 0.132242 | 0.192509 | -0.198693 | 0.000000 | 0.000000 | 0.000000 |
| 19.108768 | 0.050848 | 0.007762 | -0.088703 | 0.160473 | -0.122029 | 0.054874 | -0.024803 | -0.037778 | 0.001115 | -0.495593 | 0.480998 | 0.000000 | 0.000000 | 0.000000 |
| 11.921821 | -0.006560 | 0.001056 | 0.092075 | 0.793361 | -0.875949 | 0.490671 | -0.234937 | -0.471917 | -0.761501 | 1.939170 | -2.443130 | 0.000000 | 0.000000 | 0.000000 |
| 7.319775 | -0.004964 | -0.003502 | 0.066394 | 0.509703 | -0.790175 | 0.458902 | -0.219425 | -0.409491 | -0.438063 | -0.898305 | 1.841930 | 1.000000 | 0.000000 | 0.000000 |
| 4.479524 | -0.001747 | 0.000975 | 0.011582 | 0.098112 | 0.245881 | -0.202691 | 0.099694 | 0.246905 | 0.378584 | 1.501040 | -3.262210 | 0.000000 | 1.000000 | 0.000000 |
| 2.692393 | 0.000727 | -0.000877 | 0.000875 | 0.015540 | 0.828069 | -0.745806 | 0.390214 | 0.831487 | 1.350300 | -6.345960 | 14.192400 | 0.000000 | 0.000000 | 0.000000 |
| 1.654827 | -0.000149 | 0.000734 | -0.000909 | 0.003056 | 0.442543 | -0.579247 | 0.319827 | 1.056000 | 1.991510 | 3.248410 | -21.686800 | 0.000000 | 0.000000 | 0.000000 |
| 1.027730 | 0.000259 | -0.000448 | 0.000336 | 0.001878 | 0.098425 | 0.077170 | -0.061506 | -1.159530 | -4.542480 | 8.002010 | 9.450340 | 0.000000 | 0.000000 | 0.000000 |
| 0.602754 | -0.000123 | 0.000280 | -0.000273 | -0.001071 | 0.028948 | 0.572980 | -0.389412 | -1.563840 | -0.755597 | -9.460570 | 9.855770 | 0.000000 | 0.000000 | 0.000000 |
| 0.360436 | 0.000087 | -0.000178 | 0.000168 | 0.000114 | 0.020873 | 0.492083 | -0.413290 | 0.128891 | 2.847550 | -0.700962 | -13.367100 | 0.000000 | 0.000000 | 0.000000 |
| 0.218668 | -0.000044 | 0.000099 | -0.000096 | -0.000367 | 0.006689 | 0.153021 | -0.268341 | 0.665804 | 1.848320 | 4.965520 | 1.410850 | 0.000000 | 0.000000 | 0.000000 |
| 0.128920 | 0.000018 | -0.000040 | 0.000038 | 0.000080 | 0.001334 | 0.039801 | 0.067059 | 1.188140 | -2.143570 | 0.200843 | 6.311310 | 0.000000 | 0.000000 | 0.000000 |
| 0.062694 | -0.000005 | 0.000012 | -0.000012 | -0.000076 | 0.001163 | 0.089504 | 0.512426 | 0.095454 | -1.295840 | -2.789200 | -3.317650 | 0.000000 | 0.000000 | 0.000000 |
| 0.031398 | 0.000002 | -0.000004 | 0.000004 | -0.000034 | 0.001271 | 0.094658 | 0.547010 | -0.740907 | 0.904592 | 0.491903 | -1.085070 | 0.000000 | 0.000000 | 0.000000 |
| 0.015635 | -0.000000 | 0.000001 | -0.000001 | -0.000013 | 0.000271 | 0.020790 | 0.121011 | -0.277737 | 0.485745 | 0.780110 | 1.526150 | 0.000000 | 0.000000 | 1.000000 |
Comment: R. Feng and K.A. Peterson, J. Chem. Phys. 147, 084108 (2017)