MOLPRO Basis Query, element=Es, basis=cc-pwCVTZ-X2C, l=s
Basis Es s cc-pwCVTZ-X2C
| Primitives | Contractions... |
|---|
| 55482100.000000 | 0.004711 | 0.000159 | 0.001820 | -0.000245 | 0.000265 | -0.000120 | 0.000046 | 0.000099 | -0.000134 | -0.000170 | 0.000000 | 0.000000 | 0.000000 |
| 14764732.000000 | 0.002912 | 0.000096 | 0.001129 | -0.000152 | 0.000165 | -0.000075 | 0.000028 | 0.000062 | -0.000083 | -0.000106 | 0.000000 | 0.000000 | 0.000000 |
| 5041832.500000 | 0.009576 | 0.000314 | 0.003713 | -0.000499 | 0.000541 | -0.000245 | 0.000093 | 0.000203 | -0.000273 | -0.000347 | 0.000000 | 0.000000 | 0.000000 |
| 1910849.100000 | 0.009203 | 0.000282 | 0.003593 | -0.000485 | 0.000525 | -0.000238 | 0.000090 | 0.000197 | -0.000265 | -0.000336 | 0.000000 | 0.000000 | 0.000000 |
| 794437.390000 | 0.019962 | 0.000598 | 0.007813 | -0.001055 | 0.001142 | -0.000517 | 0.000197 | 0.000428 | -0.000576 | -0.000733 | 0.000000 | 0.000000 | 0.000000 |
| 350225.810000 | 0.022980 | 0.000594 | 0.009117 | -0.001238 | 0.001336 | -0.000605 | 0.000230 | 0.000501 | -0.000674 | -0.000855 | 0.000000 | 0.000000 | 0.000000 |
| 162920.460000 | 0.041836 | 0.000986 | 0.016721 | -0.002277 | 0.002455 | -0.001112 | 0.000423 | 0.000920 | -0.001239 | -0.001581 | 0.000000 | 0.000000 | 0.000000 |
| 78899.046000 | 0.052676 | 0.000867 | 0.021538 | -0.002957 | 0.003178 | -0.001440 | 0.000547 | 0.001193 | -0.001603 | -0.002023 | 0.000000 | 0.000000 | 0.000000 |
| 39632.976000 | 0.086909 | 0.000984 | 0.036124 | -0.004993 | 0.005352 | -0.002424 | 0.000921 | 0.002002 | -0.002703 | -0.003474 | 0.000000 | 0.000000 | 0.000000 |
| 20502.237000 | 0.112739 | -0.000067 | 0.048618 | -0.006808 | 0.007258 | -0.003287 | 0.001249 | 0.002731 | -0.003660 | -0.004560 | 0.000000 | 0.000000 | 0.000000 |
| 10880.017000 | 0.168226 | -0.001945 | 0.075032 | -0.010653 | 0.011297 | -0.005118 | 0.001944 | 0.004211 | -0.005713 | -0.007483 | 0.000000 | 0.000000 | 0.000000 |
| 5891.286800 | 0.203019 | -0.006613 | 0.096275 | -0.013963 | 0.014676 | -0.006646 | 0.002527 | 0.005557 | -0.007390 | -0.008904 | 0.000000 | 0.000000 | 0.000000 |
| 3242.294500 | 0.242884 | -0.012082 | 0.120996 | -0.017915 | 0.018686 | -0.008467 | 0.003214 | 0.006887 | -0.009482 | -0.013141 | 0.000000 | 0.000000 | 0.000000 |
| 1807.452400 | 0.201296 | -0.008691 | 0.097361 | -0.013973 | 0.014742 | -0.006670 | 0.002544 | 0.005779 | -0.007345 | -0.007052 | 0.000000 | 0.000000 | 0.000000 |
| 1018.779300 | 0.116054 | 0.034316 | -0.008312 | 0.007110 | -0.004934 | 0.002232 | -0.000870 | -0.002407 | 0.002363 | -0.001656 | 0.000000 | 0.000000 | 0.000000 |
| 577.805700 | -0.015529 | 0.141487 | -0.272284 | 0.071088 | -0.061412 | 0.027934 | -0.010585 | -0.022103 | 0.031765 | 0.050543 | 0.000000 | 0.000000 | 0.000000 |
| 332.942020 | -0.055368 | 0.222783 | -0.559938 | 0.167918 | -0.140077 | 0.063736 | -0.024348 | -0.055382 | 0.071174 | 0.071588 | 0.000000 | 0.000000 | 0.000000 |
| 193.623500 | -0.051070 | 0.166825 | -0.540010 | 0.185356 | -0.151554 | 0.069443 | -0.026273 | -0.053365 | 0.079921 | 0.142732 | 0.000000 | 0.000000 | 0.000000 |
| 113.186250 | -0.042840 | 0.131071 | 0.045452 | -0.089292 | 0.062713 | -0.029628 | 0.010971 | 0.015653 | -0.036407 | -0.125803 | 0.000000 | 0.000000 | 0.000000 |
| 68.291017 | -0.107291 | 0.232626 | 0.687718 | -0.646203 | 0.508506 | -0.241719 | 0.093409 | 0.225061 | -0.286268 | -0.253604 | 0.000000 | 0.000000 | 0.000000 |
| 40.720951 | -0.076915 | 0.181329 | 0.582063 | -0.635147 | 0.503387 | -0.242575 | 0.092012 | 0.179508 | -0.295947 | -0.635913 | 0.000000 | 0.000000 | 0.000000 |
| 23.837714 | -0.021165 | 0.042717 | 0.075283 | 0.249169 | -0.234017 | 0.118008 | -0.043447 | -0.067791 | 0.221755 | 0.894497 | 0.000000 | 0.000000 | 0.000000 |
| 14.486601 | 0.004597 | -0.000552 | -0.128843 | 0.849262 | -1.159730 | 0.684062 | -0.275101 | -0.712142 | 0.842636 | 0.273408 | 0.000000 | 0.000000 | 0.000000 |
| 8.679207 | -0.000532 | -0.000285 | -0.063220 | 0.397758 | -0.630915 | 0.366978 | -0.139361 | -0.219036 | 0.567817 | 2.173420 | 1.000000 | 0.000000 | 0.000000 |
| 5.134641 | 0.001161 | -0.000168 | -0.006713 | 0.068075 | 0.710702 | -0.625097 | 0.252781 | 0.560555 | -1.434600 | -5.161340 | 0.000000 | 1.000000 | 0.000000 |
| 2.957842 | -0.000711 | 0.000374 | -0.000430 | 0.028203 | 0.826198 | -0.915565 | 0.415299 | 1.530350 | -2.126380 | -0.084766 | 0.000000 | 0.000000 | 0.000000 |
| 1.636618 | 0.000301 | -0.000002 | 0.000228 | 0.005833 | 0.196714 | -0.108730 | 0.023942 | -1.050800 | 3.107620 | 8.420710 | 0.000000 | 0.000000 | 0.000000 |
| 0.905434 | -0.000177 | 0.000037 | -0.000128 | 0.000556 | 0.027077 | 0.663838 | -0.331017 | -1.252670 | 1.796770 | -7.791430 | 0.000000 | 0.000000 | 0.000000 |
| 0.487301 | 0.000081 | -0.000012 | 0.000042 | 0.000147 | 0.021092 | 0.569832 | -0.453620 | -0.221911 | -3.747080 | -0.151569 | 0.000000 | 0.000000 | 0.000000 |
| 0.257675 | -0.000029 | 0.000006 | -0.000024 | 0.000069 | 0.004374 | 0.137343 | -0.153430 | 1.378070 | 0.368561 | 3.850240 | 0.000000 | 0.000000 | 0.000000 |
| 0.087976 | 0.000009 | -0.000001 | 0.000006 | -0.000009 | 0.000935 | 0.061937 | 0.460124 | 0.750576 | 2.038440 | -2.242440 | 0.000000 | 0.000000 | 0.000000 |
| 0.041680 | -0.000005 | 0.000001 | -0.000004 | -0.000000 | 0.000764 | 0.071902 | 0.591357 | -0.796693 | -0.805059 | -0.087373 | 0.000000 | 0.000000 | 0.000000 |
| 0.019599 | 0.000001 | -0.000000 | 0.000001 | -0.000002 | 0.000258 | 0.020177 | 0.162474 | -0.368443 | -0.582079 | 0.885013 | 0.000000 | 0.000000 | 1.000000 |
Comment: R. Feng and K.A. Peterson, J. Chem. Phys. 147, 084108 (2017)
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