MOLPRO Basis Query, element=Sm, basis=cc-pwCVQZ-X2C, l=s
Basis Sm s cc-pwCVQZ-X2C
| Primitives | Contractions... |
|---|
| 70553620.000000 | 0.000334 | -0.000173 | 0.000099 | -0.000023 | 0.000012 | -0.000007 | -0.000011 | 0.000015 | 0.000019 | -0.000019 | 0.000000 | 0.000000 | 0.000000 |
| 18760310.000000 | 0.000273 | -0.000141 | 0.000081 | -0.000019 | 0.000010 | -0.000005 | -0.000009 | 0.000012 | 0.000016 | -0.000015 | 0.000000 | 0.000000 | 0.000000 |
| 6422564.000000 | 0.000831 | -0.000429 | 0.000245 | -0.000058 | 0.000030 | -0.000016 | -0.000027 | 0.000038 | 0.000048 | -0.000047 | 0.000000 | 0.000000 | 0.000000 |
| 2447117.000000 | 0.001042 | -0.000540 | 0.000309 | -0.000072 | 0.000038 | -0.000021 | -0.000034 | 0.000047 | 0.000061 | -0.000059 | 0.000000 | 0.000000 | 0.000000 |
| 1017667.000000 | 0.002158 | -0.001118 | 0.000640 | -0.000150 | 0.000079 | -0.000043 | -0.000071 | 0.000098 | 0.000126 | -0.000121 | 0.000000 | 0.000000 | 0.000000 |
| 446524.800000 | 0.003203 | -0.001665 | 0.000954 | -0.000224 | 0.000118 | -0.000064 | -0.000106 | 0.000146 | 0.000187 | -0.000182 | 0.000000 | 0.000000 | 0.000000 |
| 204563.800000 | 0.005886 | -0.003067 | 0.001760 | -0.000414 | 0.000218 | -0.000118 | -0.000196 | 0.000270 | 0.000348 | -0.000333 | 0.000000 | 0.000000 | 0.000000 |
| 96634.310000 | 0.009597 | -0.005027 | 0.002895 | -0.000681 | 0.000359 | -0.000195 | -0.000323 | 0.000444 | 0.000568 | -0.000559 | 0.000000 | 0.000000 | 0.000000 |
| 46866.050000 | 0.017128 | -0.009029 | 0.005222 | -0.001231 | 0.000648 | -0.000352 | -0.000583 | 0.000805 | 0.001038 | -0.000981 | 0.000000 | 0.000000 | 0.000000 |
| 23253.380000 | 0.029257 | -0.015590 | 0.009079 | -0.002144 | 0.001129 | -0.000613 | -0.001015 | 0.001393 | 0.001778 | -0.001779 | 0.000000 | 0.000000 | 0.000000 |
| 11787.570000 | 0.051269 | -0.027745 | 0.016319 | -0.003868 | 0.002037 | -0.001105 | -0.001833 | 0.002536 | 0.003284 | -0.003038 | 0.000000 | 0.000000 | 0.000000 |
| 6096.347000 | 0.086137 | -0.047851 | 0.028605 | -0.006818 | 0.003589 | -0.001947 | -0.003224 | 0.004416 | 0.005610 | -0.005762 | 0.000000 | 0.000000 | 0.000000 |
| 3213.501000 | 0.138550 | -0.080331 | 0.049285 | -0.011856 | 0.006237 | -0.003384 | -0.005619 | 0.007801 | 0.010177 | -0.009086 | 0.000000 | 0.000000 | 0.000000 |
| 1725.382000 | 0.197663 | -0.123480 | 0.079038 | -0.019305 | 0.010142 | -0.005502 | -0.009106 | 0.012418 | 0.015627 | -0.016923 | 0.000000 | 0.000000 | 0.000000 |
| 943.431500 | 0.231191 | -0.162830 | 0.111065 | -0.027783 | 0.014576 | -0.007910 | -0.013175 | 0.018480 | 0.024583 | -0.019820 | 0.000000 | 0.000000 | 0.000000 |
| 524.825100 | 0.190087 | -0.155311 | 0.113960 | -0.029379 | 0.015373 | -0.008339 | -0.013750 | 0.018298 | 0.021822 | -0.030257 | 0.000000 | 0.000000 | 0.000000 |
| 296.364900 | 0.097166 | -0.048133 | 0.026248 | -0.005997 | 0.003183 | -0.001732 | -0.003074 | 0.005703 | 0.011225 | 0.009418 | 0.000000 | 0.000000 | 0.000000 |
| 169.077000 | 0.051300 | 0.159499 | -0.211256 | 0.068180 | -0.035329 | 0.019214 | 0.032651 | -0.048940 | -0.073082 | 0.025871 | 0.000000 | 0.000000 | 0.000000 |
| 98.971510 | 0.062037 | 0.303043 | -0.494995 | 0.180752 | -0.093252 | 0.050727 | 0.084045 | -0.109469 | -0.123730 | 0.230195 | 0.000000 | 0.000000 | 0.000000 |
| 59.132220 | 0.046721 | 0.231050 | -0.499128 | 0.203820 | -0.105350 | 0.057500 | 0.100465 | -0.160146 | -0.256484 | 0.013101 | 0.000000 | 0.000000 | 0.000000 |
| 36.269900 | 0.021531 | 0.107565 | -0.122138 | 0.048919 | -0.026430 | 0.014469 | 0.016855 | 0.019827 | 0.117165 | 0.421063 | 0.000000 | 0.000000 | 0.000000 |
| 23.191900 | 0.018623 | 0.128420 | 0.391817 | -0.302783 | 0.161324 | -0.089088 | -0.139037 | 0.118438 | -0.009688 | -0.976390 | 0.000000 | 0.000000 | 0.000000 |
| 14.871800 | 0.023703 | 0.161435 | 0.604597 | -0.636716 | 0.356307 | -0.199912 | -0.397215 | 0.750025 | 1.483360 | -0.380073 | 0.000000 | 0.000000 | 0.000000 |
| 9.232309 | 0.012721 | 0.091076 | 0.346171 | -0.382919 | 0.204180 | -0.112897 | -0.176035 | 0.072679 | -0.487290 | -0.953596 | 0.000000 | 0.000000 | 0.000000 |
| 5.396108 | 0.002316 | 0.014336 | 0.039282 | 0.362520 | -0.234074 | 0.134448 | 0.329888 | -0.524443 | -0.512874 | 4.144210 | 0.000000 | 0.000000 | 0.000000 |
| 3.239681 | -0.000456 | -0.003172 | -0.038852 | 0.701776 | -0.591313 | 0.364658 | 0.840243 | -1.768720 | -4.915910 | 1.308680 | 0.000000 | 0.000000 | 0.000000 |
| 1.906050 | -0.000067 | -0.001395 | -0.017982 | 0.330181 | -0.428742 | 0.278250 | 0.528547 | 0.357029 | 7.860530 | -12.271500 | 0.000000 | 0.000000 | 0.000000 |
| 1.068909 | -0.000088 | -0.000381 | -0.003655 | 0.064853 | 0.166177 | -0.132968 | -1.485740 | 3.445000 | -0.583760 | 14.515700 | 0.000000 | 0.000000 | 0.000000 |
| 0.599140 | 0.000022 | -0.000074 | -0.001278 | 0.054015 | 0.557113 | -0.440344 | -0.860486 | -1.113060 | -6.378360 | -4.961460 | 0.000000 | 0.000000 | 0.000000 |
| 0.336627 | -0.000030 | -0.000116 | -0.001210 | 0.037019 | 0.357949 | -0.422388 | 0.431751 | -2.439600 | 3.391600 | -5.484330 | 0.000000 | 0.000000 | 0.000000 |
| 0.188523 | 0.000011 | 0.000003 | -0.000096 | 0.006548 | 0.048155 | -0.187719 | 0.816728 | 0.089716 | 2.466470 | 5.676280 | 0.000000 | 0.000000 | 0.000000 |
| 0.102331 | -0.000007 | -0.000014 | -0.000100 | 0.002531 | 0.059516 | 0.178471 | 0.765187 | 1.880390 | -1.863700 | 0.777418 | 0.000000 | 0.000000 | 0.000000 |
| 0.052678 | 0.000002 | -0.000005 | -0.000089 | 0.005843 | 0.159038 | 0.520381 | -0.185456 | 0.280904 | -1.174990 | -3.272700 | 0.000000 | 0.000000 | 0.000000 |
| 0.027563 | -0.000002 | -0.000010 | -0.000102 | 0.004868 | 0.131409 | 0.431566 | -0.609466 | -0.785417 | 0.739783 | 0.543584 | 0.000000 | 0.000000 | 0.000000 |
| 0.014325 | 0.000000 | -0.000001 | -0.000015 | 0.000893 | 0.024342 | 0.080266 | -0.199946 | -0.318814 | 0.416184 | 0.914181 | 1.000000 | 0.000000 | 0.000000 |
| 11.319090 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
| 7.135044 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: Q. Lu and K.A. Peterson, J. Chem. Phys. 145, 054111 (2016)
| 