MOLPRO Basis Query, element=No, basis=cc-pwCVQZ-X2C, l=d
Basis No d cc-pwCVQZ-X2C
| Primitives | Contractions... |
|---|
| 882401.300000 | 0.000002 | -0.000001 | 0.000001 | 0.000000 | -0.000000 | 0.000000 | -0.000000 | -0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 202584.490000 | 0.000011 | -0.000005 | 0.000003 | 0.000001 | -0.000001 | 0.000002 | -0.000002 | -0.000002 | 0.000000 | 0.000000 | 0.000000 |
| 62143.054000 | 0.000052 | -0.000023 | 0.000013 | 0.000003 | -0.000007 | 0.000009 | -0.000010 | -0.000014 | 0.000000 | 0.000000 | 0.000000 |
| 22581.652000 | 0.000213 | -0.000095 | 0.000055 | 0.000013 | -0.000028 | 0.000038 | -0.000037 | -0.000027 | 0.000000 | 0.000000 | 0.000000 |
| 9266.837800 | 0.000803 | -0.000361 | 0.000210 | 0.000048 | -0.000105 | 0.000132 | -0.000149 | -0.000220 | 0.000000 | 0.000000 | 0.000000 |
| 4172.530300 | 0.002821 | -0.001273 | 0.000739 | 0.000170 | -0.000370 | 0.000511 | -0.000488 | -0.000345 | 0.000000 | 0.000000 | 0.000000 |
| 2020.876700 | 0.009182 | -0.004174 | 0.002422 | 0.000557 | -0.001210 | 0.001522 | -0.001722 | -0.002530 | 0.000000 | 0.000000 | 0.000000 |
| 1034.843000 | 0.027120 | -0.012431 | 0.007220 | 0.001659 | -0.003619 | 0.004989 | -0.004778 | -0.003456 | 0.000000 | 0.000000 | 0.000000 |
| 552.242540 | 0.070957 | -0.033055 | 0.019196 | 0.004419 | -0.009593 | 0.012074 | -0.013674 | -0.020059 | 0.000000 | 0.000000 | 0.000000 |
| 304.595130 | 0.156606 | -0.074073 | 0.043065 | 0.009903 | -0.021620 | 0.029983 | -0.028428 | -0.019187 | 0.000000 | 0.000000 | 0.000000 |
| 172.122570 | 0.271761 | -0.127722 | 0.074184 | 0.017091 | -0.037121 | 0.045787 | -0.054086 | -0.087820 | 0.000000 | 0.000000 | 0.000000 |
| 99.117051 | 0.341043 | -0.145965 | 0.084276 | 0.019270 | -0.042335 | 0.063705 | -0.053983 | -0.002520 | 0.000000 | 0.000000 | 0.000000 |
| 57.757548 | 0.259246 | -0.022053 | 0.005371 | 0.000640 | -0.000337 | -0.014839 | -0.010795 | -0.132841 | 0.000000 | 0.000000 | 0.000000 |
| 33.726609 | 0.083429 | 0.243213 | -0.157780 | -0.038328 | 0.083510 | -0.091472 | 0.162715 | 0.435394 | 0.000000 | 0.000000 | 0.000000 |
| 19.647827 | -0.029128 | 0.442802 | -0.292174 | -0.070209 | 0.159067 | -0.263486 | 0.176867 | -0.241396 | 0.000000 | 0.000000 | 0.000000 |
| 11.467913 | -0.035475 | 0.332803 | -0.137395 | -0.028903 | 0.054676 | 0.005040 | 0.198496 | 1.074630 | 0.000000 | 0.000000 | 0.000000 |
| 6.607066 | -0.011279 | 0.103513 | 0.280793 | 0.086586 | -0.187812 | 0.186157 | -0.737443 | -2.775180 | 0.000000 | 0.000000 | 0.000000 |
| 3.696261 | -0.000832 | 0.008736 | 0.495472 | 0.147440 | -0.406325 | 1.076780 | -0.817517 | 2.182630 | 0.000000 | 0.000000 | 0.000000 |
| 2.003315 | 0.000177 | -0.000751 | 0.326313 | 0.070255 | -0.107471 | -1.211700 | 2.674260 | 0.612072 | 0.000000 | 0.000000 | 0.000000 |
| 1.032167 | 0.000064 | -0.000331 | 0.092041 | -0.126848 | 0.804411 | -0.613923 | -2.049870 | -2.525310 | 0.000000 | 0.000000 | 0.000000 |
| 0.474199 | 0.000002 | -0.000011 | 0.008214 | -0.328872 | 0.356549 | 1.190970 | 0.058428 | 2.626050 | 0.000000 | 0.000000 | 0.000000 |
| 0.206083 | 0.000000 | -0.000003 | 0.000403 | -0.407328 | -0.405837 | 0.000214 | 1.142160 | -1.679900 | 0.000000 | 0.000000 | 0.000000 |
| 0.085975 | -0.000001 | 0.000003 | 0.000062 | -0.314921 | -0.370347 | -0.478218 | -0.697297 | 0.260027 | 0.000000 | 0.000000 | 0.000000 |
| 0.034096 | 0.000000 | -0.000000 | 0.000015 | -0.101565 | -0.113684 | -0.126266 | -0.244487 | 0.507993 | 1.000000 | 0.000000 | 0.000000 |
| 13.597392 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
| 7.956989 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: R. Feng and K.A. Peterson, J. Chem. Phys. 147, 084108 (2017)
| 