MOLPRO Basis Query, element=Es, basis=cc-pwCVTZ-DK3, l=p
Basis Es p cc-pwCVTZ-DK3
| Primitives | Contractions... |
|---|
| 56971843.000000 | 0.000028 | -0.000035 | 0.000002 | -0.000005 | 0.000002 | -0.000000 | -0.000002 | -0.000003 | -0.000004 | 0.000000 | 0.000000 | 0.000000 |
| 17786195.000000 | 0.000029 | -0.000037 | 0.000002 | -0.000005 | 0.000002 | -0.000001 | -0.000002 | -0.000003 | -0.000004 | 0.000000 | 0.000000 | 0.000000 |
| 5887595.700000 | 0.000090 | -0.000115 | 0.000006 | -0.000017 | 0.000007 | -0.000002 | -0.000006 | -0.000009 | -0.000013 | 0.000000 | 0.000000 | 0.000000 |
| 2071034.500000 | 0.000161 | -0.000205 | 0.000010 | -0.000030 | 0.000013 | -0.000003 | -0.000011 | -0.000016 | -0.000023 | 0.000000 | 0.000000 | 0.000000 |
| 764479.240000 | 0.000359 | -0.000457 | 0.000023 | -0.000067 | 0.000030 | -0.000006 | -0.000024 | -0.000036 | -0.000051 | 0.000000 | 0.000000 | 0.000000 |
| 294055.280000 | 0.000727 | -0.000927 | 0.000047 | -0.000136 | 0.000060 | -0.000013 | -0.000048 | -0.000072 | -0.000103 | 0.000000 | 0.000000 | 0.000000 |
| 117338.370000 | 0.001570 | -0.002009 | 0.000103 | -0.000297 | 0.000131 | -0.000028 | -0.000104 | -0.000157 | -0.000227 | 0.000000 | 0.000000 | 0.000000 |
| 48476.383000 | 0.003400 | -0.004372 | 0.000228 | -0.000648 | 0.000286 | -0.000061 | -0.000227 | -0.000342 | -0.000487 | 0.000000 | 0.000000 | 0.000000 |
| 20734.208000 | 0.007623 | -0.009875 | 0.000531 | -0.001471 | 0.000649 | -0.000139 | -0.000517 | -0.000781 | -0.001136 | 0.000000 | 0.000000 | 0.000000 |
| 9195.735800 | 0.017256 | -0.022585 | 0.001265 | -0.003392 | 0.001496 | -0.000321 | -0.001189 | -0.001787 | -0.002534 | 0.000000 | 0.000000 | 0.000000 |
| 4235.692900 | 0.038850 | -0.051682 | 0.003073 | -0.007856 | 0.003466 | -0.000743 | -0.002763 | -0.004183 | -0.006119 | 0.000000 | 0.000000 | 0.000000 |
| 2026.416700 | 0.082571 | -0.112600 | 0.007306 | -0.017448 | 0.007691 | -0.001650 | -0.006112 | -0.009167 | -0.012909 | 0.000000 | 0.000000 | 0.000000 |
| 1004.045000 | 0.153896 | -0.217244 | 0.015679 | -0.034499 | 0.015217 | -0.003264 | -0.012148 | -0.018456 | -0.027348 | 0.000000 | 0.000000 | 0.000000 |
| 513.005780 | 0.222867 | -0.324229 | 0.025576 | -0.052705 | 0.023216 | -0.004980 | -0.018412 | -0.027428 | -0.037513 | 0.000000 | 0.000000 | 0.000000 |
| 269.942350 | 0.221245 | -0.264351 | 0.006351 | -0.034756 | 0.015357 | -0.003293 | -0.012405 | -0.019526 | -0.032863 | 0.000000 | 0.000000 | 0.000000 |
| 145.568720 | 0.181424 | 0.105531 | -0.103848 | 0.071286 | -0.031676 | 0.006828 | 0.025981 | 0.041719 | 0.073109 | 0.000000 | 0.000000 | 0.000000 |
| 80.404383 | 0.200711 | 0.532058 | -0.293578 | 0.236222 | -0.104840 | 0.022579 | 0.083529 | 0.123720 | 0.160511 | 0.000000 | 0.000000 | 0.000000 |
| 44.990879 | 0.154843 | 0.445937 | -0.196943 | 0.155996 | -0.068773 | 0.014802 | 0.056740 | 0.093753 | 0.182566 | 0.000000 | 0.000000 | 0.000000 |
| 24.974973 | 0.041056 | 0.013817 | 0.345424 | -0.278905 | 0.134118 | -0.029399 | -0.117327 | -0.209113 | -0.455588 | 0.000000 | 0.000000 | 0.000000 |
| 14.067227 | -0.001536 | -0.172825 | 0.627801 | -0.620170 | 0.305432 | -0.066936 | -0.246218 | -0.347317 | -0.319918 | 0.000000 | 0.000000 | 0.000000 |
| 7.876668 | -0.001297 | -0.071893 | 0.260405 | -0.045058 | -0.010354 | 0.003003 | 0.008816 | -0.017556 | -0.284657 | 1.000000 | 0.000000 | 0.000000 |
| 4.311540 | -0.000039 | -0.003245 | 0.022003 | 0.676362 | -0.467394 | 0.109088 | 0.462968 | 0.958406 | 2.737450 | 0.000000 | 0.000000 | 0.000000 |
| 2.299340 | 0.000213 | 0.003065 | -0.001306 | 0.478149 | -0.328908 | 0.076986 | 0.308728 | 0.170025 | -2.696450 | 0.000000 | 0.000000 | 0.000000 |
| 1.135508 | 0.000011 | 0.000468 | -0.000513 | 0.088282 | 0.289087 | -0.083986 | -0.741010 | -1.830020 | -0.667409 | 0.000000 | 0.000000 | 0.000000 |
| 0.561329 | 0.000013 | 0.000095 | 0.000067 | 0.017563 | 0.590140 | -0.183197 | -0.457750 | 0.668704 | 3.143630 | 0.000000 | 0.000000 | 0.000000 |
| 0.268404 | -0.000003 | 0.000014 | -0.000018 | 0.010653 | 0.334029 | -0.151000 | 0.420531 | 1.170490 | -2.350640 | 0.000000 | 0.000000 | 0.000000 |
| 0.108045 | 0.000002 | 0.000008 | 0.000017 | 0.000919 | 0.045812 | 0.192450 | 0.635317 | -0.734407 | 0.181427 | 0.000000 | 0.000000 | 0.000000 |
| 0.045947 | -0.000001 | -0.000003 | -0.000006 | 0.000093 | -0.001563 | 0.616252 | 0.168827 | -0.402096 | 0.622713 | 0.000000 | 0.000000 | 0.000000 |
| 0.019023 | 0.000000 | 0.000001 | 0.000002 | -0.000015 | 0.001024 | 0.345447 | 0.003394 | 0.009482 | -0.031776 | 0.000000 | 1.000000 | 0.000000 |
| 4.979846 | 0.000000 | 0.000000 | 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)