MOLPRO Basis Query, element=Pu, basis=cc-pwCVQZ-DK3, l=p
Basis Pu p cc-pwCVQZ-DK3
| Primitives | Contractions... |
|---|
| 77985804.000000 | 0.000017 | -0.000021 | 0.000002 | -0.000003 | 0.000001 | -0.000000 | -0.000001 | -0.000002 | -0.000002 | -0.000002 | 0.000000 | 0.000000 | 0.000000 |
| 29799915.000000 | 0.000007 | -0.000009 | 0.000001 | -0.000001 | 0.000001 | -0.000000 | -0.000000 | -0.000001 | -0.000001 | -0.000001 | 0.000000 | 0.000000 | 0.000000 |
| 11468416.000000 | 0.000043 | -0.000053 | 0.000005 | -0.000008 | 0.000003 | -0.000001 | -0.000002 | -0.000004 | -0.000005 | -0.000006 | 0.000000 | 0.000000 | 0.000000 |
| 4596340.000000 | 0.000053 | -0.000065 | 0.000007 | -0.000009 | 0.000004 | -0.000001 | -0.000003 | -0.000005 | -0.000007 | -0.000008 | 0.000000 | 0.000000 | 0.000000 |
| 1905828.300000 | 0.000127 | -0.000156 | 0.000016 | -0.000022 | 0.000010 | -0.000002 | -0.000007 | -0.000011 | -0.000016 | -0.000018 | 0.000000 | 0.000000 | 0.000000 |
| 814854.390000 | 0.000213 | -0.000261 | 0.000026 | -0.000038 | 0.000017 | -0.000004 | -0.000012 | -0.000019 | -0.000027 | -0.000031 | 0.000000 | 0.000000 | 0.000000 |
| 357860.180000 | 0.000431 | -0.000530 | 0.000054 | -0.000076 | 0.000034 | -0.000008 | -0.000024 | -0.000038 | -0.000055 | -0.000062 | 0.000000 | 0.000000 | 0.000000 |
| 161039.720000 | 0.000803 | -0.000990 | 0.000101 | -0.000143 | 0.000064 | -0.000015 | -0.000045 | -0.000071 | -0.000102 | -0.000118 | 0.000000 | 0.000000 | 0.000000 |
| 74177.385000 | 0.001607 | -0.001988 | 0.000205 | -0.000288 | 0.000128 | -0.000030 | -0.000092 | -0.000143 | -0.000210 | -0.000232 | 0.000000 | 0.000000 | 0.000000 |
| 34972.660000 | 0.003202 | -0.003979 | 0.000414 | -0.000578 | 0.000258 | -0.000060 | -0.000184 | -0.000285 | -0.000410 | -0.000478 | 0.000000 | 0.000000 | 0.000000 |
| 16891.617000 | 0.006608 | -0.008259 | 0.000869 | -0.001205 | 0.000538 | -0.000126 | -0.000384 | -0.000601 | -0.000884 | -0.000966 | 0.000000 | 0.000000 | 0.000000 |
| 8369.031700 | 0.013715 | -0.017298 | 0.001855 | -0.002541 | 0.001135 | -0.000265 | -0.000807 | -0.001249 | -0.001792 | -0.002118 | 0.000000 | 0.000000 | 0.000000 |
| 4257.217600 | 0.028525 | -0.036435 | 0.004009 | -0.005407 | 0.002415 | -0.000565 | -0.001723 | -0.002704 | -0.004002 | -0.004303 | 0.000000 | 0.000000 | 0.000000 |
| 2223.756600 | 0.057278 | -0.074630 | 0.008536 | -0.011241 | 0.005018 | -0.001173 | -0.003569 | -0.005507 | -0.007855 | -0.009463 | 0.000000 | 0.000000 | 0.000000 |
| 1191.623000 | 0.106037 | -0.141934 | 0.017070 | -0.021833 | 0.009751 | -0.002280 | -0.006963 | -0.010975 | -0.016388 | -0.017208 | 0.000000 | 0.000000 | 0.000000 |
| 653.453510 | 0.168472 | -0.233575 | 0.029896 | -0.036858 | 0.016448 | -0.003846 | -0.011684 | -0.017909 | -0.025161 | -0.031737 | 0.000000 | 0.000000 | 0.000000 |
| 365.932590 | 0.209340 | -0.292552 | 0.037879 | -0.046450 | 0.020751 | -0.004851 | -0.014873 | -0.023853 | -0.036894 | -0.034574 | 0.000000 | 0.000000 | 0.000000 |
| 208.341230 | 0.190958 | -0.190609 | 0.005113 | -0.019337 | 0.008581 | -0.002002 | -0.005903 | -0.007670 | -0.006235 | -0.022199 | 0.000000 | 0.000000 | 0.000000 |
| 120.144450 | 0.159573 | 0.130876 | -0.111367 | 0.073336 | -0.032806 | 0.007702 | 0.023196 | 0.033444 | 0.040186 | 0.080010 | 0.000000 | 0.000000 | 0.000000 |
| 70.438701 | 0.176252 | 0.465331 | -0.284186 | 0.205255 | -0.092679 | 0.021768 | 0.067510 | 0.112797 | 0.189566 | 0.158457 | 0.000000 | 0.000000 | 0.000000 |
| 41.693753 | 0.144784 | 0.421689 | -0.229350 | 0.159884 | -0.070836 | 0.016612 | 0.049318 | 0.065606 | 0.057613 | 0.187209 | 0.000000 | 0.000000 | 0.000000 |
| 24.617048 | 0.053268 | 0.100496 | 0.183814 | -0.139814 | 0.066737 | -0.015967 | -0.047939 | -0.061371 | -0.048073 | -0.334689 | 0.000000 | 0.000000 | 0.000000 |
| 14.557608 | 0.004601 | -0.106667 | 0.556034 | -0.488076 | 0.242693 | -0.058076 | -0.184670 | -0.334733 | -0.648118 | -0.364011 | 0.000000 | 0.000000 | 0.000000 |
| 8.669162 | -0.001202 | -0.088621 | 0.403394 | -0.361015 | 0.172365 | -0.041151 | -0.118740 | -0.125393 | 0.046290 | -0.539810 | 1.000000 | 0.000000 | 0.000000 |
| 5.082588 | -0.000376 | -0.021550 | 0.102658 | 0.288279 | -0.200189 | 0.050303 | 0.156031 | 0.211699 | 0.199714 | 1.552300 | 0.000000 | 1.000000 | 0.000000 |
| 2.923256 | 0.000153 | 0.001533 | 0.007273 | 0.621931 | -0.451467 | 0.117519 | 0.396545 | 0.856142 | 2.303530 | 1.982240 | 0.000000 | 0.000000 | 0.000000 |
| 1.660752 | 0.000068 | 0.001167 | 0.001174 | 0.327181 | -0.218794 | 0.056136 | 0.212590 | 0.032816 | -2.953200 | -7.282620 | 0.000000 | 0.000000 | 0.000000 |
| 0.923408 | 0.000028 | 0.000423 | -0.000178 | 0.068608 | 0.274579 | -0.091843 | -0.653936 | -1.700680 | -0.839694 | 7.582220 | 0.000000 | 0.000000 | 0.000000 |
| 0.499710 | -0.000002 | -0.000015 | 0.000206 | 0.022926 | 0.522834 | -0.178993 | -0.455830 | 0.133235 | 3.416720 | -2.602980 | 0.000000 | 0.000000 | 0.000000 |
| 0.268521 | 0.000005 | 0.000063 | -0.000012 | 0.013050 | 0.356173 | -0.171423 | 0.101529 | 1.439130 | -1.391050 | -2.276390 | 0.000000 | 0.000000 | 0.000000 |
| 0.139574 | -0.000001 | -0.000013 | 0.000053 | 0.003413 | 0.096297 | 0.026216 | 0.546804 | -0.015745 | -1.155120 | 2.997020 | 0.000000 | 0.000000 | 0.000000 |
| 0.065449 | 0.000001 | 0.000008 | -0.000012 | 0.000268 | 0.008899 | 0.412085 | 0.462006 | -0.801490 | 0.820402 | -0.855145 | 0.000000 | 0.000000 | 0.000000 |
| 0.031019 | -0.000000 | -0.000003 | 0.000007 | 0.000036 | 0.000974 | 0.532062 | 0.062566 | -0.133886 | 0.238710 | -0.394071 | 0.000000 | 0.000000 | 0.000000 |
| 0.014561 | 0.000000 | 0.000001 | -0.000002 | -0.000003 | -0.000023 | 0.169409 | 0.003888 | -0.006545 | -0.000237 | -0.001558 | 0.000000 | 0.000000 | 1.000000 |
Comment: R. Feng and K.A. Peterson, J. Chem. Phys. 147, 084108 (2017)