MOLPRO Basis Query, element=Ra, basis=augccpwCVQZ-DK3, l=s
Basis Ra s augccpwCVQZ-DK3
| Primitives | Contractions... |
|---|
| 58063745.000000 | 0.001628 | -0.000663 | 0.000322 | -0.000165 | 0.000079 | 0.000033 | 0.000010 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 15456539.000000 | 0.001446 | -0.000588 | 0.000286 | -0.000147 | 0.000070 | 0.000030 | 0.000009 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 5290255.300000 | 0.004175 | -0.001701 | 0.000827 | -0.000425 | 0.000204 | 0.000086 | 0.000025 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2013987.300000 | 0.005261 | -0.002149 | 0.001044 | -0.000537 | 0.000257 | 0.000108 | 0.000032 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 841000.590000 | 0.010368 | -0.004252 | 0.002068 | -0.001063 | 0.000509 | 0.000214 | 0.000063 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 372227.000000 | 0.014463 | -0.005973 | 0.002909 | -0.001495 | 0.000717 | 0.000302 | 0.000089 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 173398.010000 | 0.024743 | -0.010313 | 0.005030 | -0.002586 | 0.001240 | 0.000522 | 0.000153 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 83843.273000 | 0.035788 | -0.015143 | 0.007405 | -0.003810 | 0.001827 | 0.000769 | 0.000226 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 41893.009000 | 0.057283 | -0.024709 | 0.012123 | -0.006243 | 0.002995 | 0.001260 | 0.000371 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 21503.090000 | 0.082931 | -0.036883 | 0.018196 | -0.009381 | 0.004501 | 0.001894 | 0.000557 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 11316.750000 | 0.124447 | -0.057630 | 0.028636 | -0.014795 | 0.007103 | 0.002988 | 0.000879 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6101.261000 | 0.166864 | -0.082268 | 0.041361 | -0.021423 | 0.010290 | 0.004332 | 0.001274 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 3380.223600 | 0.210519 | -0.112370 | 0.057350 | -0.029844 | 0.014357 | 0.006042 | 0.001778 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1937.525500 | 0.206889 | -0.121883 | 0.063499 | -0.033153 | 0.015953 | 0.006723 | 0.001979 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1162.230600 | 0.166310 | -0.096908 | 0.050128 | -0.026288 | 0.012689 | 0.005327 | 0.001567 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 740.413800 | 0.078530 | -0.012801 | 0.001002 | 0.000648 | -0.000509 | -0.000189 | -0.000054 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 489.271960 | 0.044309 | 0.103171 | -0.083243 | 0.047735 | -0.023477 | -0.010007 | -0.002951 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 309.255100 | 0.001604 | 0.308601 | -0.265639 | 0.159302 | -0.079671 | -0.033730 | -0.009932 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 190.334120 | 0.005197 | 0.394073 | -0.418465 | 0.261898 | -0.132062 | -0.056349 | -0.016616 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 116.206960 | -0.003842 | 0.264680 | -0.289857 | 0.194781 | -0.101450 | -0.043251 | -0.012747 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 69.524001 | 0.003472 | 0.068123 | 0.240723 | -0.236902 | 0.135085 | 0.058639 | 0.017330 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 44.016782 | -0.003346 | 0.004568 | 0.606516 | -0.732517 | 0.445508 | 0.198740 | 0.059013 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 27.864480 | 0.002832 | 0.000301 | 0.419772 | -0.585554 | 0.354794 | 0.155331 | 0.045942 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 17.888079 | -0.002145 | 0.000284 | 0.123640 | 0.098492 | -0.080591 | -0.030597 | -0.008739 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 11.216696 | 0.001425 | -0.000516 | 0.017213 | 0.751302 | -0.757592 | -0.392172 | -0.119324 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6.929171 | -0.000872 | 0.000274 | 0.000081 | 0.579147 | -0.844270 | -0.457050 | -0.139368 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 4.126763 | 0.000520 | -0.000191 | 0.000619 | 0.127935 | 0.118409 | 0.104735 | 0.032733 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2.415873 | -0.000333 | 0.000144 | -0.000570 | 0.005262 | 0.871208 | 0.705733 | 0.231813 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1.419835 | 0.000226 | -0.000093 | 0.000249 | 0.001698 | 0.505813 | 0.633908 | 0.228225 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.856104 | -0.000141 | 0.000060 | -0.000184 | -0.000357 | 0.085409 | -0.089059 | -0.049036 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.475250 | 0.000080 | -0.000035 | 0.000110 | 0.000134 | 0.007928 | -0.667126 | -0.292394 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.268895 | -0.000050 | 0.000022 | -0.000063 | -0.000135 | -0.001349 | -0.568611 | -0.369629 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.146396 | 0.000032 | -0.000014 | 0.000044 | 0.000057 | 0.001052 | -0.136234 | -0.213343 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.088049 | -0.000019 | 0.000008 | -0.000025 | -0.000036 | -0.000543 | -0.002383 | 0.187866 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.045092 | 0.000008 | -0.000003 | 0.000010 | 0.000014 | 0.000216 | -0.002142 | 0.550980 | 1.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.024215 | -0.000003 | 0.000001 | -0.000004 | -0.000006 | -0.000086 | 0.000586 | 0.476260 | 0.000000 | 1.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.012913 | 0.000001 | -0.000000 | 0.000001 | 0.000001 | 0.000019 | -0.000123 | 0.098570 | 0.000000 | 0.000000 | 1.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2.120100 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.975220 | 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 | 0.000000 |
| 0.448600 | 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 | 0.000000 |
| 0.006890 | 0.000000 | 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: J.G. Hill and K.A. Peterson, J. Chem. Phys. 147, 244106 (2017)
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