MOLPRO Basis Query, element=Pa, basis=cc-pwCVDZ-DK3, l=s
Basis Pa s cc-pwCVDZ-DK3
| Primitives | Contractions... |
|---|
| 56655884.000000 | 0.000842 | 0.001861 | 0.000727 | -0.000101 | 0.000118 | -0.000045 | 0.000020 | -0.000039 | 0.000000 | 0.000000 |
| 14813567.000000 | 0.000806 | 0.001781 | 0.000695 | -0.000097 | 0.000113 | -0.000043 | 0.000019 | -0.000037 | 0.000000 | 0.000000 |
| 4885337.400000 | 0.002224 | 0.004921 | 0.001924 | -0.000269 | 0.000313 | -0.000120 | 0.000053 | -0.000103 | 0.000000 | 0.000000 |
| 1754150.100000 | 0.003222 | 0.007146 | 0.002801 | -0.000391 | 0.000457 | -0.000174 | 0.000077 | -0.000149 | 0.000000 | 0.000000 |
| 673061.040000 | 0.006282 | 0.013986 | 0.005506 | -0.000770 | 0.000898 | -0.000343 | 0.000152 | -0.000294 | 0.000000 | 0.000000 |
| 268964.970000 | 0.010155 | 0.022770 | 0.009038 | -0.001268 | 0.001477 | -0.000563 | 0.000250 | -0.000483 | 0.000000 | 0.000000 |
| 111487.340000 | 0.017733 | 0.040193 | 0.016138 | -0.002275 | 0.002645 | -0.001009 | 0.000448 | -0.000866 | 0.000000 | 0.000000 |
| 47649.274000 | 0.028848 | 0.066604 | 0.027294 | -0.003872 | 0.004494 | -0.001714 | 0.000761 | -0.001468 | 0.000000 | 0.000000 |
| 20957.417000 | 0.047015 | 0.111737 | 0.047127 | -0.006766 | 0.007816 | -0.002979 | 0.001322 | -0.002563 | 0.000000 | 0.000000 |
| 9462.226400 | 0.070742 | 0.176783 | 0.078398 | -0.011433 | 0.013145 | -0.005012 | 0.002225 | -0.004283 | 0.000000 | 0.000000 |
| 4378.063100 | 0.094486 | 0.256689 | 0.122113 | -0.018350 | 0.020856 | -0.007944 | 0.003526 | -0.006865 | 0.000000 | 0.000000 |
| 2072.497600 | 0.095089 | 0.292350 | 0.153338 | -0.023684 | 0.026721 | -0.010186 | 0.004525 | -0.008620 | 0.000000 | 0.000000 |
| 1001.116000 | 0.079151 | 0.187043 | 0.073641 | -0.009844 | 0.011593 | -0.004409 | 0.001948 | -0.004077 | 0.000000 | 0.000000 |
| 480.277130 | 0.149990 | -0.061263 | -0.276234 | 0.070068 | -0.068375 | 0.025966 | -0.011512 | 0.023140 | 0.000000 | 0.000000 |
| 243.055990 | 0.232947 | -0.187995 | -0.728916 | 0.213224 | -0.203419 | 0.077516 | -0.034530 | 0.065048 | 0.000000 | 0.000000 |
| 125.931250 | 0.146393 | -0.116700 | -0.466295 | 0.157580 | -0.147293 | 0.056410 | -0.024955 | 0.052702 | 0.000000 | 0.000000 |
| 62.083606 | 0.195815 | -0.192234 | 0.646483 | -0.549004 | 0.490407 | -0.193871 | 0.086357 | -0.179560 | 0.000000 | 0.000000 |
| 33.005270 | 0.178154 | -0.177848 | 0.749443 | -0.738862 | 0.699953 | -0.285734 | 0.128942 | -0.238226 | 0.000000 | 0.000000 |
| 15.546144 | 0.027865 | -0.026696 | 0.024838 | 0.521552 | -0.665755 | 0.311098 | -0.143281 | 0.268833 | 0.000000 | 0.000000 |
| 8.338789 | -0.004592 | 0.006201 | -0.120735 | 0.734693 | -1.290960 | 0.689831 | -0.318371 | 0.711600 | 0.000000 | 0.000000 |
| 3.447813 | 0.001573 | -0.001390 | -0.013038 | 0.196776 | 0.670019 | -0.625440 | 0.305651 | -0.917112 | 1.000000 | 0.000000 |
| 1.821726 | 0.000175 | -0.000146 | -0.003292 | 0.101751 | 0.833022 | -0.869200 | 0.459523 | -0.867269 | 0.000000 | 0.000000 |
| 0.611129 | 0.000227 | -0.000222 | -0.000414 | 0.014802 | 0.083479 | 0.758599 | -0.533558 | 3.099270 | 0.000000 | 0.000000 |
| 0.281140 | -0.000063 | 0.000063 | -0.000082 | -0.000302 | 0.012408 | 0.560207 | -0.510891 | -2.205650 | 0.000000 | 0.000000 |
| 0.053135 | 0.000020 | -0.000020 | -0.000015 | 0.000820 | 0.003812 | 0.143352 | 0.786638 | -0.741259 | 0.000000 | 0.000000 |
| 0.022257 | -0.000008 | 0.000008 | -0.000001 | -0.000226 | -0.000252 | 0.058406 | 0.402799 | 1.147530 | 0.000000 | 1.000000 |
Comment: R. Feng and K.A. Peterson, J. Chem. Phys. 147, 084108 (2017)