MOLPRO Basis Query, element=Nd, basis=ANO-RCC, l=s
Basis Nd s ANO-RCC
| Primitives | Contractions... |
|---|
| 46423811.400000 | 0.000366 | -0.000131 | 0.000060 | -0.000028 | 0.000011 | -0.000003 | 0.000006 | -0.000013 | 0.000011 | -0.000020 | 0.000016 | -0.000037 |
| 8793995.870000 | 0.000735 | -0.000262 | 0.000121 | -0.000056 | 0.000022 | -0.000007 | 0.000013 | -0.000027 | 0.000023 | -0.000040 | 0.000032 | -0.000076 |
| 2140753.570000 | 0.001921 | -0.000688 | 0.000317 | -0.000146 | 0.000059 | -0.000017 | 0.000034 | -0.000070 | 0.000060 | -0.000104 | 0.000083 | -0.000195 |
| 596157.962000 | 0.004279 | -0.001538 | 0.000710 | -0.000327 | 0.000131 | -0.000039 | 0.000075 | -0.000157 | 0.000135 | -0.000233 | 0.000191 | -0.000448 |
| 184797.310000 | 0.009500 | -0.003439 | 0.001590 | -0.000733 | 0.000294 | -0.000087 | 0.000169 | -0.000354 | 0.000304 | -0.000523 | 0.000406 | -0.000957 |
| 62395.657500 | 0.020401 | -0.007471 | 0.003460 | -0.001597 | 0.000641 | -0.000190 | 0.000367 | -0.000763 | 0.000652 | -0.001138 | 0.000965 | -0.002266 |
| 22629.077400 | 0.043725 | -0.016356 | 0.007599 | -0.003506 | 0.001408 | -0.000417 | 0.000813 | -0.001703 | 0.001471 | -0.002504 | 0.001825 | -0.004313 |
| 8704.470940 | 0.092499 | -0.035903 | 0.016775 | -0.007763 | 0.003115 | -0.000921 | 0.001779 | -0.003682 | 0.003123 | -0.005532 | 0.005068 | -0.011886 |
| 3511.777760 | 0.185980 | -0.077582 | 0.036672 | -0.016972 | 0.006824 | -0.002022 | 0.003962 | -0.008346 | 0.007270 | -0.012167 | 0.007801 | -0.018553 |
| 1475.141850 | 0.314052 | -0.150501 | 0.072786 | -0.033992 | 0.013651 | -0.004036 | 0.007742 | -0.015884 | 0.013307 | -0.024293 | 0.025524 | -0.059855 |
| 641.917417 | 0.347753 | -0.213957 | 0.108247 | -0.050740 | 0.020500 | -0.006089 | 0.012126 | -0.026057 | 0.023338 | -0.036869 | 0.012614 | -0.031378 |
| 285.711385 | 0.160056 | -0.071533 | 0.035129 | -0.017141 | 0.006751 | -0.001950 | 0.002974 | -0.004066 | 0.000802 | -0.011436 | 0.057231 | -0.130478 |
| 131.279210 | 0.009179 | 0.426456 | -0.322840 | 0.168962 | -0.068930 | 0.020338 | -0.037502 | 0.073018 | -0.056326 | 0.127498 | -0.237667 | 0.563774 |
| 62.482175 | 0.003310 | 0.579534 | -0.629596 | 0.350630 | -0.147674 | 0.044338 | -0.092599 | 0.209850 | -0.201257 | 0.282877 | 0.101218 | -0.189956 |
| 30.347650 | -0.002495 | 0.157064 | 0.039651 | -0.024183 | 0.013502 | -0.004913 | 0.022933 | -0.083276 | 0.115666 | -0.032510 | -0.776142 | 1.749866 |
| 15.009777 | 0.001676 | 0.006092 | 0.914210 | -0.972196 | 0.457826 | -0.137178 | 0.251545 | -0.489146 | 0.386292 | -1.182944 | 2.966551 | -8.072541 |
| 7.323111 | -0.001066 | -0.000779 | 0.354859 | -0.358781 | 0.184777 | -0.060432 | 0.177075 | -0.496771 | 0.571139 | -0.083945 | -4.045863 | 14.475897 |
| 3.510714 | 0.000603 | 0.000449 | -0.005669 | 1.053380 | -0.776485 | 0.258627 | -0.735773 | 2.117344 | -2.681309 | 4.512186 | 2.059272 | -15.060534 |
| 1.619875 | -0.000286 | -0.000391 | -0.000438 | 0.474521 | -0.539314 | 0.178814 | -0.049724 | -0.888048 | 2.715352 | -7.169202 | 0.993651 | 10.614878 |
| 0.634444 | 0.000130 | 0.000181 | -0.001909 | -0.003057 | 0.900891 | -0.373264 | 1.037328 | -2.217054 | -0.238790 | 6.716655 | -3.360764 | -6.634880 |
| 0.253777 | -0.000073 | -0.000110 | 0.000705 | 0.006934 | 0.569261 | -0.500633 | 0.012366 | 2.942850 | -2.609082 | -4.915705 | 5.284290 | 4.962868 |
| 0.101511 | 0.000042 | 0.000062 | -0.000468 | -0.004184 | -0.034539 | 0.259979 | -1.222888 | -0.699366 | 3.938019 | 2.126303 | -6.685699 | -3.896115 |
| 0.040604 | -0.000023 | -0.000034 | 0.000237 | 0.002354 | 0.038177 | 0.858429 | -0.227380 | -1.187285 | -2.455798 | 0.533786 | 6.947056 | 2.975951 |
| 0.016242 | 0.000011 | 0.000016 | -0.000120 | -0.001071 | -0.010864 | 0.152808 | 0.995286 | 0.684977 | -0.331783 | -1.882977 | -5.406977 | -1.904929 |
| 0.006497 | -0.000003 | -0.000005 | 0.000034 | 0.000317 | 0.003756 | 0.021133 | 0.174273 | 0.363184 | 1.133138 | 1.211990 | 2.276915 | 0.712102 |
Comment: neodymium (25s,22p,15d,11f,4g,2h) -> [12s,11p,8d,7f,4g,2h] converted by Basis Set Exchange