MOLPRO Basis Query, element=Es, basis=cc-pVQZ-X2C, l=s
Basis Es s cc-pVQZ-X2C
| Primitives | Contractions... |
|---|
| 55484956.000000 | -0.002419 | 0.004070 | 0.001767 | -0.000245 | 0.000265 | -0.000120 | 0.000046 | 0.000099 | -0.000134 | -0.000169 | -0.000181 | 0.000000 |
| 14765984.000000 | -0.001496 | 0.002512 | 0.001095 | -0.000152 | 0.000164 | -0.000074 | 0.000028 | 0.000062 | -0.000083 | -0.000105 | -0.000112 | 0.000000 |
| 5042962.700000 | -0.004926 | 0.008271 | 0.003606 | -0.000500 | 0.000542 | -0.000245 | 0.000093 | 0.000203 | -0.000273 | -0.000346 | -0.000369 | 0.000000 |
| 1911848.600000 | -0.004735 | 0.007910 | 0.003479 | -0.000483 | 0.000523 | -0.000237 | 0.000090 | 0.000196 | -0.000264 | -0.000334 | -0.000357 | 0.000000 |
| 795438.220000 | -0.010323 | 0.017218 | 0.007594 | -0.001056 | 0.001143 | -0.000518 | 0.000197 | 0.000428 | -0.000577 | -0.000729 | -0.000779 | 0.000000 |
| 351092.770000 | -0.011844 | 0.019570 | 0.008775 | -0.001227 | 0.001325 | -0.000600 | 0.000228 | 0.000496 | -0.000669 | -0.000846 | -0.000902 | 0.000000 |
| 163668.710000 | -0.021872 | 0.035964 | 0.016264 | -0.002279 | 0.002458 | -0.001113 | 0.000423 | 0.000921 | -0.001240 | -0.001567 | -0.001678 | 0.000000 |
| 79529.773000 | -0.027113 | 0.043849 | 0.020407 | -0.002884 | 0.003099 | -0.001403 | 0.000533 | 0.001161 | -0.001566 | -0.001985 | -0.002106 | 0.000000 |
| 40228.700000 | -0.046140 | 0.073886 | 0.034979 | -0.004970 | 0.005328 | -0.002413 | 0.000917 | 0.001995 | -0.002685 | -0.003382 | -0.003653 | 0.000000 |
| 21121.713000 | -0.055691 | 0.086609 | 0.043102 | -0.006210 | 0.006615 | -0.002996 | 0.001138 | 0.002479 | -0.003358 | -0.004285 | -0.004452 | 0.000000 |
| 11625.535000 | -0.087264 | 0.133858 | 0.068206 | -0.009908 | 0.010525 | -0.004767 | 0.001811 | 0.003939 | -0.005253 | -0.006505 | -0.007398 | 0.000000 |
| 6985.726000 | -0.063593 | 0.091346 | 0.051924 | -0.007748 | 0.008114 | -0.003673 | 0.001395 | 0.003053 | -0.004308 | -0.005912 | -0.004820 | 0.000000 |
| 4717.242600 | -0.105694 | 0.155137 | 0.085159 | -0.012680 | 0.013355 | -0.006051 | 0.002300 | 0.004978 | -0.006327 | -0.007080 | -0.010559 | 0.000000 |
| 2999.369600 | -0.098578 | 0.133323 | 0.083645 | -0.012799 | 0.013237 | -0.005990 | 0.002275 | 0.005001 | -0.007334 | -0.010696 | -0.006842 | 0.000000 |
| 1811.872900 | -0.122040 | 0.176057 | 0.098557 | -0.014608 | 0.015465 | -0.007011 | 0.002666 | 0.005722 | -0.006687 | -0.005997 | -0.014351 | 0.000000 |
| 1124.199100 | -0.020423 | 0.065746 | -0.002758 | 0.003725 | -0.002628 | 0.001213 | -0.000467 | -0.000861 | -0.000843 | -0.005850 | 0.009376 | 0.000000 |
| 735.787340 | 0.021653 | 0.086867 | -0.087207 | 0.024594 | -0.020415 | 0.009247 | -0.003508 | -0.007947 | 0.014126 | 0.026026 | 0.002199 | 0.000000 |
| 475.566630 | 0.165294 | 0.031566 | -0.332072 | 0.089684 | -0.077199 | 0.035141 | -0.013382 | -0.028853 | 0.034516 | 0.033281 | 0.070872 | 0.000000 |
| 292.689420 | 0.198224 | 0.073217 | -0.543481 | 0.171096 | -0.140612 | 0.064021 | -0.024349 | -0.053815 | 0.079003 | 0.115299 | 0.079349 | 0.000000 |
| 175.826890 | 0.157993 | 0.031112 | -0.455468 | 0.156750 | -0.129350 | 0.059343 | -0.022637 | -0.048782 | 0.057192 | 0.052255 | 0.124315 | 0.000000 |
| 103.657930 | 0.138644 | 0.039364 | 0.163322 | -0.163956 | 0.122460 | -0.057576 | 0.022087 | 0.047129 | -0.047628 | -0.021810 | -0.146994 | 0.000000 |
| 64.580199 | 0.237516 | 0.031714 | 0.673550 | -0.648169 | 0.509955 | -0.243170 | 0.093196 | 0.212337 | -0.328906 | -0.530319 | -0.409062 | 0.000000 |
| 39.833116 | 0.164212 | 0.036974 | 0.524417 | -0.567027 | 0.449887 | -0.215802 | 0.083028 | 0.180472 | -0.193773 | -0.107810 | -0.473710 | 0.000000 |
| 24.608851 | 0.048288 | 0.000897 | 0.081307 | 0.175005 | -0.162537 | 0.077794 | -0.030091 | -0.074505 | 0.038784 | -0.089969 | 0.812636 | 0.000000 |
| 15.690292 | -0.001416 | 0.007191 | -0.102310 | 0.748091 | -0.948370 | 0.553878 | -0.218996 | -0.517208 | 0.899493 | 1.670120 | 0.468194 | 0.000000 |
| 10.080000 | 0.002763 | -0.004602 | -0.079655 | 0.473506 | -0.839914 | 0.507000 | -0.201971 | -0.464149 | 0.399320 | -0.291219 | 1.936460 | 0.000000 |
| 6.683408 | -0.002187 | 0.003160 | -0.016426 | 0.135139 | 0.181637 | -0.184091 | 0.077632 | 0.198922 | -0.016812 | 1.001980 | -2.121060 | 0.000000 |
| 3.971816 | 0.001267 | -0.001509 | -0.004095 | 0.043794 | 0.882445 | -0.849710 | 0.362094 | 1.114650 | -2.515740 | -7.261310 | -8.277640 | 0.000000 |
| 2.371721 | -0.000402 | 0.000886 | 0.001437 | 0.014256 | 0.519779 | -0.621449 | 0.280491 | 0.758168 | -0.182996 | 6.832500 | 17.098600 | 0.000000 |
| 1.337969 | 0.000371 | -0.000522 | -0.000833 | 0.004013 | 0.090212 | 0.179836 | -0.103912 | -1.491490 | 3.767150 | 3.323400 | -11.651400 | 0.000000 |
| 0.799316 | -0.000224 | 0.000349 | 0.000550 | -0.000681 | 0.019884 | 0.603046 | -0.324736 | -0.855680 | -0.080099 | -7.619130 | -3.074950 | 0.000000 |
| 0.474967 | 0.000126 | -0.000191 | -0.000321 | 0.000664 | 0.017501 | 0.471692 | -0.362144 | -0.009876 | -2.699320 | 0.645938 | 10.085900 | 0.000000 |
| 0.271950 | -0.000051 | 0.000080 | 0.000126 | -0.000153 | 0.004686 | 0.142451 | -0.200607 | 0.992649 | -0.532065 | 3.782640 | -3.841240 | 0.000000 |
| 0.124143 | 0.000021 | -0.000032 | -0.000053 | 0.000083 | 0.000683 | 0.030220 | 0.163581 | 0.891056 | 1.759810 | -0.616335 | -3.698380 | 0.000000 |
| 0.067371 | -0.000012 | 0.000018 | 0.000030 | -0.000050 | 0.000648 | 0.062374 | 0.511542 | -0.135728 | 0.515144 | -1.908590 | 4.053830 | 0.000000 |
| 0.034313 | 0.000005 | -0.000007 | -0.000012 | 0.000015 | 0.000710 | 0.057812 | 0.466810 | -0.617196 | -0.700492 | 0.571528 | -0.094162 | 0.000000 |
| 0.017264 | -0.000001 | 0.000002 | 0.000003 | -0.000005 | 0.000122 | 0.011007 | 0.090450 | -0.274825 | -0.456146 | 0.627203 | -1.105630 | 1.000000 |
Comment: R. Feng and K.A. Peterson, J. Chem. Phys. 147, 084108 (2017)
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