MOLPRO Basis Query, element=Er, basis=cc-pVQZ-X2C, l=s
Basis Er s cc-pVQZ-X2C
| Primitives | Contractions... |
|---|
| 67133340.000000 | 0.000532 | -0.000250 | 0.000158 | -0.000038 | 0.000020 | -0.000009 | -0.000017 | 0.000026 | 0.000032 | -0.000031 | 0.000000 |
| 17872790.000000 | 0.000415 | -0.000195 | 0.000124 | -0.000030 | 0.000015 | -0.000007 | -0.000013 | 0.000020 | 0.000025 | -0.000025 | 0.000000 |
| 6132789.000000 | 0.001283 | -0.000602 | 0.000382 | -0.000093 | 0.000047 | -0.000021 | -0.000041 | 0.000063 | 0.000078 | -0.000076 | 0.000000 |
| 2346171.000000 | 0.001527 | -0.000718 | 0.000456 | -0.000111 | 0.000056 | -0.000025 | -0.000049 | 0.000076 | 0.000093 | -0.000091 | 0.000000 |
| 983294.600000 | 0.003186 | -0.001500 | 0.000952 | -0.000232 | 0.000118 | -0.000052 | -0.000102 | 0.000158 | 0.000194 | -0.000189 | 0.000000 |
| 436222.600000 | 0.004477 | -0.002116 | 0.001345 | -0.000327 | 0.000167 | -0.000073 | -0.000145 | 0.000223 | 0.000274 | -0.000269 | 0.000000 |
| 202895.600000 | 0.008162 | -0.003870 | 0.002465 | -0.000600 | 0.000305 | -0.000134 | -0.000266 | 0.000410 | 0.000503 | -0.000489 | 0.000000 |
| 97586.740000 | 0.012624 | -0.006028 | 0.003853 | -0.000940 | 0.000478 | -0.000210 | -0.000416 | 0.000641 | 0.000784 | -0.000778 | 0.000000 |
| 48267.950000 | 0.022037 | -0.010605 | 0.006805 | -0.001663 | 0.000845 | -0.000371 | -0.000736 | 0.001136 | 0.001395 | -0.001344 | 0.000000 |
| 24421.860000 | 0.035895 | -0.017510 | 0.011310 | -0.002771 | 0.001408 | -0.000618 | -0.001226 | 0.001887 | 0.002307 | -0.002317 | 0.000000 |
| 12612.010000 | 0.060911 | -0.030261 | 0.019724 | -0.004852 | 0.002465 | -0.001082 | -0.002147 | 0.003319 | 0.004084 | -0.003872 | 0.000000 |
| 6637.960000 | 0.097608 | -0.050010 | 0.033078 | -0.008187 | 0.004158 | -0.001825 | -0.003618 | 0.005565 | 0.006790 | -0.006964 | 0.000000 |
| 3558.846000 | 0.150587 | -0.080936 | 0.054759 | -0.013690 | 0.006949 | -0.003050 | -0.006056 | 0.009382 | 0.011589 | -0.010672 | 0.000000 |
| 1941.841000 | 0.204696 | -0.119317 | 0.083691 | -0.021252 | 0.010774 | -0.004729 | -0.009377 | 0.014389 | 0.017486 | -0.018736 | 0.000000 |
| 1076.542000 | 0.230266 | -0.151439 | 0.111857 | -0.029094 | 0.014733 | -0.006469 | -0.012867 | 0.020061 | 0.025045 | -0.021175 | 0.000000 |
| 605.032100 | 0.181858 | -0.134733 | 0.104655 | -0.027896 | 0.014096 | -0.006187 | -0.012251 | 0.018527 | 0.021940 | -0.029077 | 0.000000 |
| 344.044800 | 0.089969 | -0.019282 | 0.000616 | 0.001638 | -0.000760 | 0.000331 | 0.000609 | -0.000139 | 0.001607 | 0.014810 | 0.000000 |
| 197.389200 | 0.043802 | 0.189392 | -0.254283 | 0.086734 | -0.043429 | 0.019113 | 0.038446 | -0.061865 | -0.081510 | 0.045181 | 0.000000 |
| 115.601000 | 0.049373 | 0.311389 | -0.526518 | 0.202495 | -0.101079 | 0.044496 | 0.089099 | -0.135031 | -0.160168 | 0.245282 | 0.000000 |
| 68.864050 | 0.033379 | 0.217760 | -0.474867 | 0.203745 | -0.102155 | 0.045138 | 0.092743 | -0.156641 | -0.217817 | 0.023474 | 0.000000 |
| 42.238380 | 0.015513 | 0.104189 | -0.027096 | -0.003488 | 0.000666 | -0.000341 | -0.004223 | 0.031840 | 0.068216 | 0.434325 | 0.000000 |
| 27.625260 | 0.011143 | 0.131262 | 0.441970 | -0.375552 | 0.197117 | -0.088165 | -0.176415 | 0.233721 | 0.247212 | -1.234000 | 0.000000 |
| 18.135750 | 0.014275 | 0.147780 | 0.576531 | -0.632118 | 0.343152 | -0.155181 | -0.362914 | 0.728492 | 1.282420 | -0.382991 | 0.000000 |
| 11.430000 | 0.006607 | 0.080427 | 0.312859 | -0.325429 | 0.166818 | -0.074254 | -0.135240 | 0.096204 | -0.206195 | -0.807002 | 0.000000 |
| 6.796727 | 0.001353 | 0.010412 | 0.025671 | 0.425824 | -0.274569 | 0.127322 | 0.381901 | -0.822904 | -1.701140 | 5.387450 | 0.000000 |
| 4.060934 | -0.000432 | -0.003985 | -0.041832 | 0.707179 | -0.593300 | 0.291737 | 0.765518 | -1.626390 | -3.148360 | -1.983040 | 0.000000 |
| 2.385816 | -0.000002 | -0.002044 | -0.018763 | 0.311751 | -0.398677 | 0.206293 | 0.373909 | 0.587273 | 6.968580 | -8.717940 | 0.000000 |
| 1.382669 | -0.000087 | -0.000285 | -0.003165 | 0.053849 | 0.174130 | -0.105986 | -1.212640 | 2.946010 | -0.909565 | 11.594900 | 0.000000 |
| 0.769438 | 0.000031 | -0.000144 | -0.001037 | 0.037318 | 0.571377 | -0.352132 | -0.805154 | -0.706234 | -5.289680 | -2.934230 | 0.000000 |
| 0.428487 | -0.000026 | -0.000060 | -0.000788 | 0.026185 | 0.417645 | -0.375653 | 0.249521 | -2.211770 | 2.371440 | -5.385260 | 0.000000 |
| 0.233713 | 0.000011 | -0.000026 | -0.000139 | 0.005705 | 0.076438 | -0.191171 | 0.690320 | -0.112329 | 2.410250 | 4.306200 | 0.000000 |
| 0.124021 | -0.000006 | 0.000002 | -0.000033 | 0.001051 | 0.038898 | 0.170776 | 0.813742 | 1.506580 | -1.278060 | 1.590950 | 0.000000 |
| 0.062025 | 0.000002 | -0.000008 | -0.000046 | 0.002754 | 0.108362 | 0.526075 | -0.006499 | 0.520013 | -1.327620 | -3.214200 | 0.000000 |
| 0.031618 | -0.000001 | -0.000004 | -0.000044 | 0.002252 | 0.090658 | 0.445923 | -0.644925 | -0.692003 | 0.587108 | 0.371047 | 0.000000 |
| 0.016120 | 0.000000 | -0.000001 | -0.000008 | 0.000431 | 0.017131 | 0.084335 | -0.268741 | -0.380387 | 0.489167 | 0.926207 | 1.000000 |
Comment: Q. Lu and K.A. Peterson, J. Chem. Phys. 145, 054111 (2016)