MOLPRO Basis Query, element=Er, basis=cc-pVQZ-DK3, l=s
Basis Er s cc-pVQZ-DK3
| Primitives | Contractions... |
|---|
| 67133340.000000 | 0.000410 | -0.000225 | 0.000125 | -0.000030 | 0.000015 | -0.000007 | -0.000014 | 0.000021 | 0.000025 | -0.000025 | 0.000000 |
| 17872790.000000 | 0.000396 | -0.000218 | 0.000120 | -0.000029 | 0.000015 | -0.000007 | -0.000013 | 0.000020 | 0.000024 | -0.000024 | 0.000000 |
| 6132789.000000 | 0.001141 | -0.000628 | 0.000347 | -0.000084 | 0.000043 | -0.000019 | -0.000038 | 0.000057 | 0.000071 | -0.000069 | 0.000000 |
| 2346171.000000 | 0.001565 | -0.000862 | 0.000478 | -0.000116 | 0.000059 | -0.000026 | -0.000052 | 0.000079 | 0.000097 | -0.000095 | 0.000000 |
| 983294.600000 | 0.003110 | -0.001716 | 0.000951 | -0.000231 | 0.000117 | -0.000052 | -0.000103 | 0.000157 | 0.000193 | -0.000189 | 0.000000 |
| 436222.600000 | 0.004711 | -0.002607 | 0.001448 | -0.000352 | 0.000179 | -0.000079 | -0.000157 | 0.000240 | 0.000294 | -0.000290 | 0.000000 |
| 202895.600000 | 0.008284 | -0.004602 | 0.002562 | -0.000623 | 0.000317 | -0.000140 | -0.000279 | 0.000425 | 0.000522 | -0.000509 | 0.000000 |
| 97586.740000 | 0.013113 | -0.007328 | 0.004097 | -0.000998 | 0.000507 | -0.000225 | -0.000447 | 0.000679 | 0.000834 | -0.000827 | 0.000000 |
| 48267.950000 | 0.022167 | -0.012487 | 0.007021 | -0.001713 | 0.000871 | -0.000386 | -0.000767 | 0.001169 | 0.001439 | -0.001388 | 0.000000 |
| 24421.860000 | 0.035888 | -0.020477 | 0.011614 | -0.002842 | 0.001445 | -0.000640 | -0.001271 | 0.001933 | 0.002369 | -0.002381 | 0.000000 |
| 12612.010000 | 0.059390 | -0.034515 | 0.019819 | -0.004870 | 0.002475 | -0.001096 | -0.002180 | 0.003328 | 0.004104 | -0.003895 | 0.000000 |
| 6637.960000 | 0.094368 | -0.056487 | 0.033064 | -0.008177 | 0.004154 | -0.001839 | -0.003655 | 0.005552 | 0.006791 | -0.006978 | 0.000000 |
| 3558.846000 | 0.144125 | -0.090316 | 0.054426 | -0.013600 | 0.006905 | -0.003058 | -0.006086 | 0.009311 | 0.011528 | -0.010616 | 0.000000 |
| 1941.841000 | 0.195726 | -0.132348 | 0.083430 | -0.021177 | 0.010738 | -0.004755 | -0.009451 | 0.014321 | 0.017448 | -0.018744 | 0.000000 |
| 1076.542000 | 0.218999 | -0.166079 | 0.111588 | -0.029014 | 0.014694 | -0.006510 | -0.012979 | 0.019988 | 0.025006 | -0.021115 | 0.000000 |
| 605.032100 | 0.172502 | -0.146595 | 0.104644 | -0.027880 | 0.014090 | -0.006240 | -0.012384 | 0.018489 | 0.021960 | -0.029240 | 0.000000 |
| 344.044800 | 0.088240 | -0.025109 | 0.000523 | 0.001658 | -0.000770 | 0.000338 | 0.000624 | -0.000138 | 0.001582 | 0.015090 | 0.000000 |
| 197.389200 | 0.056544 | 0.185905 | -0.254225 | 0.086669 | -0.043399 | 0.019272 | 0.038861 | -0.061789 | -0.081539 | 0.044740 | 0.000000 |
| 115.601000 | 0.069802 | 0.307498 | -0.526627 | 0.202414 | -0.101042 | 0.044880 | 0.090077 | -0.134761 | -0.160349 | 0.247011 | 0.000000 |
| 68.864050 | 0.048059 | 0.214835 | -0.474729 | 0.203592 | -0.102078 | 0.045509 | 0.093760 | -0.156546 | -0.217834 | 0.020711 | 0.000000 |
| 42.238380 | 0.022154 | 0.103108 | -0.027162 | -0.003497 | 0.000671 | -0.000345 | -0.004331 | 0.032182 | 0.067891 | 0.442122 | 0.000000 |
| 27.625260 | 0.020228 | 0.130041 | 0.442181 | -0.375483 | 0.197047 | -0.088925 | -0.178305 | 0.232741 | 0.248266 | -1.250120 | 0.000000 |
| 18.135750 | 0.023967 | 0.146666 | 0.576431 | -0.631818 | 0.342902 | -0.156452 | -0.367394 | 0.729504 | 1.283890 | -0.369049 | 0.000000 |
| 11.430000 | 0.012127 | 0.079711 | 0.312907 | -0.325242 | 0.166687 | -0.074863 | -0.136424 | 0.094221 | -0.206869 | -0.824898 | 0.000000 |
| 6.796727 | 0.001976 | 0.010346 | 0.025569 | 0.425759 | -0.274391 | 0.128383 | 0.387382 | -0.823729 | -1.708310 | 5.444840 | 0.000000 |
| 4.060934 | -0.000657 | -0.003988 | -0.041853 | 0.706793 | -0.592572 | 0.293931 | 0.775076 | -1.630620 | -3.151320 | -2.069740 | 0.000000 |
| 2.385816 | -0.000166 | -0.002021 | -0.018800 | 0.311467 | -0.397967 | 0.207724 | 0.375694 | 0.607319 | 7.007540 | -8.691000 | 0.000000 |
| 1.382669 | -0.000091 | -0.000291 | -0.003159 | 0.053937 | 0.173803 | -0.106708 | -1.234860 | 2.943140 | -0.954741 | 11.683600 | 0.000000 |
| 0.769438 | 0.000013 | -0.000140 | -0.001056 | 0.037653 | 0.569800 | -0.354029 | -0.807272 | -0.733216 | -5.297120 | -3.070300 | 0.000000 |
| 0.428487 | -0.000025 | -0.000063 | -0.000793 | 0.026430 | 0.416199 | -0.376747 | 0.268035 | -2.210520 | 2.416750 | -5.326190 | 0.000000 |
| 0.233713 | 0.000006 | -0.000025 | -0.000144 | 0.005754 | 0.075736 | -0.191624 | 0.695897 | -0.094341 | 2.401210 | 4.357380 | 0.000000 |
| 0.124021 | -0.000004 | 0.000002 | -0.000033 | 0.001072 | 0.039359 | 0.169561 | 0.803803 | 1.519630 | -1.314150 | 1.516450 | 0.000000 |
| 0.062025 | 0.000001 | -0.000008 | -0.000048 | 0.002829 | 0.110350 | 0.524964 | -0.017882 | 0.503659 | -1.303940 | -3.188390 | 0.000000 |
| 0.031618 | -0.000001 | -0.000004 | -0.000045 | 0.002323 | 0.092655 | 0.446422 | -0.637358 | -0.694489 | 0.590794 | 0.378979 | 0.000000 |
| 0.016120 | 0.000000 | -0.000001 | -0.000008 | 0.000446 | 0.017575 | 0.084729 | -0.263147 | -0.377436 | 0.483801 | 0.920312 | 1.000000 |
Comment: Q. Lu and K.A. Peterson, J. Chem. Phys. 145, 054111 (2016)
| 