MOLPRO Basis Query, element=Es, basis=cc-pwCVQZ-DK3, l=s
Basis Es s cc-pwCVQZ-DK3
| Primitives | Contractions... |
|---|
| 55484956.000000 | 0.001110 | 0.003181 | 0.001261 | -0.000173 | 0.000189 | -0.000086 | 0.000033 | 0.000071 | -0.000095 | -0.000121 | -0.000129 | 0.000000 | 0.000000 | 0.000000 |
| 14765984.000000 | 0.000926 | 0.002650 | 0.001050 | -0.000144 | 0.000157 | -0.000071 | 0.000027 | 0.000059 | -0.000079 | -0.000100 | -0.000107 | 0.000000 | 0.000000 | 0.000000 |
| 5042962.700000 | 0.002679 | 0.007681 | 0.003048 | -0.000418 | 0.000457 | -0.000207 | 0.000079 | 0.000171 | -0.000231 | -0.000292 | -0.000311 | 0.000000 | 0.000000 | 0.000000 |
| 1911848.600000 | 0.003160 | 0.009080 | 0.003610 | -0.000496 | 0.000542 | -0.000245 | 0.000093 | 0.000203 | -0.000273 | -0.000346 | -0.000369 | 0.000000 | 0.000000 | 0.000000 |
| 795438.220000 | 0.006190 | 0.017879 | 0.007138 | -0.000982 | 0.001072 | -0.000486 | 0.000184 | 0.000402 | -0.000541 | -0.000684 | -0.000731 | 0.000000 | 0.000000 | 0.000000 |
| 351092.770000 | 0.008019 | 0.023346 | 0.009384 | -0.001295 | 0.001412 | -0.000640 | 0.000243 | 0.000529 | -0.000713 | -0.000902 | -0.000962 | 0.000000 | 0.000000 | 0.000000 |
| 163668.710000 | 0.013439 | 0.039550 | 0.016041 | -0.002223 | 0.002419 | -0.001096 | 0.000416 | 0.000906 | -0.001221 | -0.001542 | -0.001652 | 0.000000 | 0.000000 | 0.000000 |
| 79529.773000 | 0.017555 | 0.052620 | 0.021662 | -0.003023 | 0.003280 | -0.001486 | 0.000564 | 0.001229 | -0.001658 | -0.002100 | -0.002230 | 0.000000 | 0.000000 | 0.000000 |
| 40228.700000 | 0.026864 | 0.082332 | 0.034492 | -0.004853 | 0.005248 | -0.002377 | 0.000903 | 0.001966 | -0.002644 | -0.003331 | -0.003600 | 0.000000 | 0.000000 | 0.000000 |
| 21121.713000 | 0.032574 | 0.103799 | 0.044784 | -0.006384 | 0.006865 | -0.003110 | 0.001181 | 0.002573 | -0.003483 | -0.004444 | -0.004621 | 0.000000 | 0.000000 | 0.000000 |
| 11625.535000 | 0.044229 | 0.146836 | 0.065218 | -0.009427 | 0.010087 | -0.004570 | 0.001736 | 0.003775 | -0.005031 | -0.006228 | -0.007105 | 0.000000 | 0.000000 | 0.000000 |
| 6985.726000 | 0.033071 | 0.119257 | 0.055925 | -0.008262 | 0.008740 | -0.003957 | 0.001503 | 0.003287 | -0.004623 | -0.006303 | -0.005235 | 0.000000 | 0.000000 | 0.000000 |
| 4717.242600 | 0.044756 | 0.164651 | 0.078089 | -0.011654 | 0.012336 | -0.005591 | 0.002125 | 0.004596 | -0.005812 | -0.006444 | -0.009887 | 0.000000 | 0.000000 | 0.000000 |
| 2999.369600 | 0.042153 | 0.173249 | 0.087448 | -0.013316 | 0.013889 | -0.006287 | 0.002387 | 0.005246 | -0.007661 | -0.011094 | -0.007263 | 0.000000 | 0.000000 | 0.000000 |
| 1811.872900 | 0.050994 | 0.193251 | 0.092386 | -0.013704 | 0.014596 | -0.006619 | 0.002517 | 0.005396 | -0.006247 | -0.005467 | -0.013797 | 0.000000 | 0.000000 | 0.000000 |
| 1124.199100 | 0.042448 | 0.069861 | 0.003113 | 0.003009 | -0.001837 | 0.000855 | -0.000331 | -0.000564 | -0.001240 | -0.006316 | 0.008897 | 0.000000 | 0.000000 | 0.000000 |
| 735.787340 | 0.080162 | 0.024185 | -0.089927 | 0.025394 | -0.021260 | 0.009632 | -0.003654 | -0.008265 | 0.014549 | 0.026512 | 0.002692 | 0.000000 | 0.000000 | 0.000000 |
| 475.566630 | 0.144592 | -0.103140 | -0.321309 | 0.088997 | -0.076549 | 0.034855 | -0.013272 | -0.028611 | 0.034182 | 0.032929 | 0.070543 | 0.000000 | 0.000000 | 0.000000 |
| 292.689420 | 0.200783 | -0.120868 | -0.537317 | 0.171489 | -0.141043 | 0.064234 | -0.024426 | -0.053982 | 0.079206 | 0.115508 | 0.079539 | 0.000000 | 0.000000 | 0.000000 |
| 175.826890 | 0.142679 | -0.104129 | -0.446101 | 0.156111 | -0.128768 | 0.059094 | -0.022540 | -0.048565 | 0.056886 | 0.051972 | 0.124100 | 0.000000 | 0.000000 | 0.000000 |
| 103.657930 | 0.110468 | -0.084348 | 0.167397 | -0.164299 | 0.122453 | -0.057595 | 0.022092 | 0.047139 | -0.047635 | -0.022008 | -0.147385 | 0.000000 | 0.000000 | 0.000000 |
| 64.580199 | 0.148977 | -0.151095 | 0.683627 | -0.649312 | 0.510436 | -0.243464 | 0.093294 | 0.212546 | -0.329106 | -0.530389 | -0.408978 | 0.000000 | 0.000000 | 0.000000 |
| 39.833116 | 0.110727 | -0.099740 | 0.527899 | -0.566497 | 0.449036 | -0.215463 | 0.082889 | 0.180141 | -0.193251 | -0.107588 | -0.473793 | 0.000000 | 0.000000 | 0.000000 |
| 24.608851 | 0.028837 | -0.033016 | 0.084412 | 0.175322 | -0.163017 | 0.078091 | -0.030209 | -0.074751 | 0.039133 | -0.088521 | 0.815012 | 0.000000 | 0.000000 | 0.000000 |
| 15.690292 | 0.008579 | 0.001074 | -0.103517 | 0.748682 | -0.949046 | 0.554416 | -0.219172 | -0.517629 | 0.899849 | 1.669040 | 0.465732 | 0.000000 | 0.000000 | 0.000000 |
| 10.080000 | 0.002098 | -0.004434 | -0.077950 | 0.472801 | -0.838857 | 0.506540 | -0.201779 | -0.463535 | 0.398224 | -0.289955 | 1.940360 | 1.000000 | 0.000000 | 0.000000 |
| 6.683408 | 0.001506 | 0.002051 | -0.017241 | 0.135204 | 0.182392 | -0.184808 | 0.077939 | 0.199498 | -0.017690 | 0.996260 | -2.132980 | 0.000000 | 1.000000 | 0.000000 |
| 3.971816 | -0.000019 | -0.001380 | -0.003570 | 0.043510 | 0.882731 | -0.850345 | 0.362324 | 1.115480 | -2.516440 | -7.256420 | -8.262140 | 0.000000 | 0.000000 | 0.000000 |
| 2.371721 | 0.000310 | 0.000507 | 0.001173 | 0.014298 | 0.519149 | -0.620746 | 0.280192 | 0.756387 | -0.178584 | 6.836640 | 17.093700 | 0.000000 | 0.000000 | 0.000000 |
| 1.337969 | -0.000083 | -0.000410 | -0.000655 | 0.003929 | 0.090154 | 0.180629 | -0.104359 | -1.492370 | 3.765820 | 3.314880 | -11.661200 | 0.000000 | 0.000000 | 0.000000 |
| 0.799316 | 0.000074 | 0.000254 | 0.000431 | -0.000635 | 0.019802 | 0.603298 | -0.324930 | -0.854977 | -0.082464 | -7.617060 | -3.064500 | 0.000000 | 0.000000 | 0.000000 |
| 0.474967 | -0.000037 | -0.000143 | -0.000255 | 0.000632 | 0.017507 | 0.471276 | -0.362169 | -0.009095 | -2.700370 | 0.649195 | 10.087400 | 0.000000 | 0.000000 | 0.000000 |
| 0.271950 | 0.000017 | 0.000058 | 0.000098 | -0.000142 | 0.004656 | 0.142241 | -0.200065 | 0.993811 | -0.529407 | 3.782180 | -3.849150 | 0.000000 | 0.000000 | 0.000000 |
| 0.124143 | -0.000007 | -0.000024 | -0.000042 | 0.000078 | 0.000689 | 0.030240 | 0.164190 | 0.890215 | 1.760590 | -0.618721 | -3.693910 | 0.000000 | 0.000000 | 0.000000 |
| 0.067371 | 0.000004 | 0.000013 | 0.000023 | -0.000047 | 0.000642 | 0.062318 | 0.511679 | -0.136806 | 0.513912 | -1.908050 | 4.055370 | 0.000000 | 0.000000 | 0.000000 |
| 0.034313 | -0.000001 | -0.000005 | -0.000010 | 0.000014 | 0.000710 | 0.057685 | 0.466395 | -0.617234 | -0.701213 | 0.572903 | -0.098134 | 0.000000 | 0.000000 | 0.000000 |
| 0.017264 | 0.000000 | 0.000001 | 0.000002 | -0.000004 | 0.000121 | 0.010961 | 0.090185 | -0.274247 | -0.455580 | 0.626596 | -1.103980 | 0.000000 | 0.000000 | 1.000000 |
Comment: R. Feng and K.A. Peterson, J. Chem. Phys. 147, 084108 (2017)