MOLPRO Basis Query, element=Pu, basis=cc-pwCVTZ-DK3, l=d
Basis Pu d cc-pwCVTZ-DK3
Primitives | Contractions... |
119160.300000 | 0.000023 | -0.000008 | 0.000005 | 0.000001 | -0.000003 | 0.000003 | 0.000004 | 0.000000 | 0.000000 | 0.000000 |
27988.003000 | 0.000140 | -0.000050 | 0.000032 | 0.000009 | -0.000016 | 0.000018 | 0.000020 | 0.000000 | 0.000000 | 0.000000 |
9036.164000 | 0.000702 | -0.000251 | 0.000164 | 0.000045 | -0.000081 | 0.000108 | 0.000124 | 0.000000 | 0.000000 | 0.000000 |
3490.316600 | 0.003074 | -0.001105 | 0.000717 | 0.000198 | -0.000351 | 0.000390 | 0.000433 | 0.000000 | 0.000000 | 0.000000 |
1521.702100 | 0.011879 | -0.004316 | 0.002801 | 0.000774 | -0.001381 | 0.001858 | 0.002129 | 0.000000 | 0.000000 | 0.000000 |
722.415190 | 0.039385 | -0.014469 | 0.009356 | 0.002589 | -0.004581 | 0.005097 | 0.005667 | 0.000000 | 0.000000 | 0.000000 |
364.218020 | 0.108355 | -0.040795 | 0.026345 | 0.007288 | -0.012996 | 0.017591 | 0.020184 | 0.000000 | 0.000000 | 0.000000 |
192.104430 | 0.231948 | -0.088234 | 0.056740 | 0.015716 | -0.027796 | 0.029938 | 0.033186 | 0.000000 | 0.000000 | 0.000000 |
104.353940 | 0.357177 | -0.131389 | 0.085276 | 0.023569 | -0.042328 | 0.062999 | 0.073724 | 0.000000 | 0.000000 | 0.000000 |
58.045543 | 0.338622 | -0.076504 | 0.051123 | 0.013837 | -0.023917 | 0.007005 | 0.005264 | 0.000000 | 0.000000 | 0.000000 |
32.486786 | 0.139186 | 0.168237 | -0.096920 | -0.028417 | 0.049282 | -0.016491 | -0.016323 | 0.000000 | 0.000000 | 0.000000 |
17.987374 | -0.039488 | 0.433696 | -0.262294 | -0.075566 | 0.140339 | -0.271755 | -0.341154 | 0.000000 | 0.000000 | 0.000000 |
10.032985 | -0.067535 | 0.397896 | -0.207750 | -0.057787 | 0.100930 | 0.033012 | 0.067182 | 0.000000 | 0.000000 | 0.000000 |
5.534602 | -0.024722 | 0.143868 | 0.192612 | 0.072785 | -0.135783 | -0.073946 | -0.041742 | 0.000000 | 0.000000 | 0.000000 |
2.969694 | -0.002432 | 0.013520 | 0.509574 | 0.183172 | -0.376549 | 1.148020 | 1.806500 | 0.000000 | 0.000000 | 0.000000 |
1.546902 | 0.000234 | -0.000872 | 0.381166 | 0.114857 | -0.243062 | -0.910802 | -3.232980 | 0.000000 | 0.000000 | 0.000000 |
0.760087 | 0.000069 | -0.000454 | 0.106684 | -0.175879 | 0.947347 | -0.885065 | 2.337040 | 0.000000 | 0.000000 | 0.000000 |
0.327636 | 0.000008 | -0.000007 | 0.006894 | -0.455121 | 0.229966 | 1.504810 | -0.514063 | 0.000000 | 0.000000 | 0.000000 |
0.132253 | -0.000001 | -0.000011 | 0.000225 | -0.442667 | -0.645378 | -0.468527 | -0.748661 | 0.000000 | 0.000000 | 0.000000 |
0.049911 | 0.000000 | 0.000003 | -0.000052 | -0.169053 | -0.255009 | -0.411049 | 0.876586 | 1.000000 | 0.000000 | 0.000000 |
6.950375 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
4.052591 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: R. Feng and K.A. Peterson, J. Chem. Phys. 147, 084108 (2017)
|