MOLPRO Basis Query, element=Pu, basis=cc-pVQZ-DK3, l=s
Basis Pu s cc-pVQZ-DK3
| Primitives | Contractions... |
|---|
| 56058703.000000 | 0.002472 | 0.000126 | 0.000898 | -0.000137 | 0.000130 | -0.000058 | 0.000025 | 0.000049 | 0.000063 | -0.000081 | 0.000086 | 0.000000 |
| 14922641.000000 | 0.002122 | 0.000109 | 0.000770 | -0.000117 | 0.000111 | -0.000050 | 0.000022 | 0.000042 | 0.000054 | -0.000070 | 0.000074 | 0.000000 |
| 5103102.000000 | 0.006144 | 0.000312 | 0.002234 | -0.000340 | 0.000322 | -0.000144 | 0.000063 | 0.000122 | 0.000158 | -0.000203 | 0.000214 | 0.000000 |
| 1939532.600000 | 0.007467 | 0.000375 | 0.002721 | -0.000415 | 0.000393 | -0.000176 | 0.000077 | 0.000149 | 0.000192 | -0.000247 | 0.000261 | 0.000000 |
| 809414.350000 | 0.014727 | 0.000720 | 0.005391 | -0.000823 | 0.000779 | -0.000349 | 0.000152 | 0.000296 | 0.000381 | -0.000490 | 0.000517 | 0.000000 |
| 358659.290000 | 0.019675 | 0.000919 | 0.007257 | -0.001110 | 0.001050 | -0.000471 | 0.000204 | 0.000399 | 0.000514 | -0.000661 | 0.000696 | 0.000000 |
| 168019.330000 | 0.033428 | 0.001469 | 0.012447 | -0.001910 | 0.001805 | -0.000809 | 0.000351 | 0.000685 | 0.000883 | -0.001134 | 0.001199 | 0.000000 |
| 82249.416000 | 0.045184 | 0.001773 | 0.017097 | -0.002636 | 0.002486 | -0.001114 | 0.000484 | 0.000944 | 0.001218 | -0.001569 | 0.001645 | 0.000000 |
| 42082.500000 | 0.070413 | 0.002373 | 0.027146 | -0.004211 | 0.003963 | -0.001775 | 0.000771 | 0.001504 | 0.001935 | -0.002480 | 0.002642 | 0.000000 |
| 22449.245000 | 0.090605 | 0.002205 | 0.036028 | -0.005639 | 0.005288 | -0.002369 | 0.001029 | 0.002009 | 0.002597 | -0.003365 | 0.003477 | 0.000000 |
| 12513.456000 | 0.129299 | 0.001831 | 0.053136 | -0.008408 | 0.007854 | -0.003519 | 0.001529 | 0.002978 | 0.003816 | -0.004838 | 0.005307 | 0.000000 |
| 7283.238000 | 0.147257 | -0.000520 | 0.063965 | -0.010275 | 0.009540 | -0.004274 | 0.001858 | 0.003632 | 0.004740 | -0.006282 | 0.006106 | 0.000000 |
| 4404.754100 | 0.189160 | -0.003667 | 0.086216 | -0.014101 | 0.013018 | -0.005832 | 0.002534 | 0.004919 | 0.006210 | -0.007564 | 0.009183 | 0.000000 |
| 2714.439400 | 0.187309 | -0.008736 | 0.092361 | -0.015384 | 0.014086 | -0.006312 | 0.002744 | 0.005397 | 0.007230 | -0.010167 | 0.008317 | 0.000000 |
| 1673.888500 | 0.196311 | -0.009208 | 0.096644 | -0.016199 | 0.014842 | -0.006648 | 0.002888 | 0.005545 | 0.006642 | -0.006916 | 0.011819 | 0.000000 |
| 1036.409000 | 0.110305 | 0.009291 | 0.031256 | -0.003177 | 0.003521 | -0.001578 | 0.000687 | 0.001493 | 0.002839 | -0.006593 | -0.001255 | 0.000000 |
| 652.144310 | 0.044378 | 0.065380 | -0.092822 | 0.025762 | -0.020198 | 0.009082 | -0.003953 | -0.008002 | -0.011911 | 0.020410 | -0.008226 | 0.000000 |
| 406.169640 | -0.048271 | 0.159345 | -0.338206 | 0.096034 | -0.075615 | 0.034005 | -0.014791 | -0.028519 | -0.034534 | 0.037176 | -0.060423 | 0.000000 |
| 248.909460 | -0.057951 | 0.202702 | -0.554634 | 0.180544 | -0.137891 | 0.062171 | -0.027068 | -0.053701 | -0.073377 | 0.107209 | -0.083507 | 0.000000 |
| 150.236690 | -0.049555 | 0.139733 | -0.453409 | 0.165389 | -0.125854 | 0.057018 | -0.024834 | -0.047614 | -0.055694 | 0.053314 | -0.106326 | 0.000000 |
| 89.807410 | -0.047532 | 0.135353 | 0.145566 | -0.151756 | 0.106416 | -0.049155 | 0.021485 | 0.040413 | 0.041894 | -0.020385 | 0.112212 | 0.000000 |
| 55.799350 | -0.098460 | 0.226923 | 0.665063 | -0.650761 | 0.487670 | -0.229634 | 0.100768 | 0.205660 | 0.295167 | -0.474338 | 0.393576 | 0.000000 |
| 34.346565 | -0.065829 | 0.166235 | 0.518039 | -0.582534 | 0.434727 | -0.204644 | 0.089744 | 0.173274 | 0.193271 | -0.131594 | 0.375663 | 0.000000 |
| 21.128487 | -0.020780 | 0.043328 | 0.091694 | 0.163318 | -0.137086 | 0.062792 | -0.027289 | -0.055893 | -0.039349 | -0.094481 | -0.445968 | 0.000000 |
| 13.226052 | 0.002299 | 0.001226 | -0.095174 | 0.768510 | -0.923325 | 0.523608 | -0.237157 | -0.507415 | -0.796000 | 1.542700 | -1.098410 | 0.000000 |
| 8.233569 | -0.000876 | -0.001223 | -0.070892 | 0.494334 | -0.814280 | 0.478150 | -0.216912 | -0.442053 | -0.463237 | -0.149300 | -0.475649 | 0.000000 |
| 5.022925 | 0.001389 | -0.000317 | -0.012681 | 0.111092 | 0.269129 | -0.236831 | 0.111874 | 0.272957 | 0.328719 | 0.558439 | 0.456884 | 0.000000 |
| 3.036745 | -0.000986 | 0.000273 | -0.001438 | 0.030084 | 0.858167 | -0.810699 | 0.400373 | 1.039410 | 2.026020 | -6.697830 | 10.311900 | 0.000000 |
| 1.844049 | 0.000619 | 0.000091 | 0.000773 | 0.013825 | 0.425454 | -0.554631 | 0.289228 | 0.910524 | 0.879973 | 6.001110 | -21.232400 | 0.000000 |
| 1.150076 | -0.000486 | 0.000046 | -0.000531 | 0.002105 | 0.083858 | 0.130152 | -0.089262 | -1.380900 | -4.076750 | 5.090040 | 12.858300 | 0.000000 |
| 0.698461 | 0.000293 | -0.000008 | 0.000351 | 0.000392 | 0.028284 | 0.522688 | -0.325522 | -1.255420 | -0.612154 | -8.133720 | 6.574810 | 0.000000 |
| 0.429982 | -0.000163 | 0.000009 | -0.000208 | 0.000069 | 0.021044 | 0.508653 | -0.396559 | -0.040618 | 2.756060 | -0.984976 | -11.464200 | 0.000000 |
| 0.250619 | 0.000068 | -0.000002 | 0.000081 | 0.000067 | 0.008425 | 0.187543 | -0.276645 | 0.925896 | 1.428650 | 4.823790 | 1.641860 | 0.000000 |
| 0.129590 | -0.000026 | 0.000001 | -0.000033 | -0.000004 | 0.000909 | 0.031374 | 0.068502 | 1.006270 | -1.882300 | -0.065795 | 5.462370 | 0.000000 |
| 0.067497 | 0.000011 | -0.000000 | 0.000014 | -0.000011 | 0.001118 | 0.081336 | 0.495476 | 0.018319 | -1.014030 | -2.439800 | -3.680920 | 0.000000 |
| 0.033732 | -0.000004 | 0.000000 | -0.000005 | -0.000015 | 0.001217 | 0.088652 | 0.540369 | -0.666327 | 0.785574 | 0.445477 | -0.795753 | 0.000000 |
| 0.016744 | 0.000001 | -0.000000 | 0.000001 | -0.000003 | 0.000280 | 0.020486 | 0.125761 | -0.288218 | 0.508684 | 0.744860 | 1.427750 | 1.000000 |
Comment: R. Feng and K.A. Peterson, J. Chem. Phys. 147, 084108 (2017)
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