MOLPRO Basis Query, element=Fe, basis=ANO-RCC, l=s
Basis Fe s ANO-RCC
| Primitives | Contractions... |
|---|
| 4316265.000000 | 0.000150 | -0.000046 | 0.000017 | -0.000004 | 0.000004 | -0.000003 | 0.000012 | -0.000014 | 0.000023 | -0.000038 |
| 646342.400000 | 0.000436 | -0.000134 | 0.000050 | -0.000010 | 0.000012 | -0.000008 | 0.000035 | -0.000041 | 0.000067 | -0.000116 |
| 147089.700000 | 0.001204 | -0.000372 | 0.000138 | -0.000028 | 0.000034 | -0.000023 | 0.000096 | -0.000113 | 0.000177 | -0.000272 |
| 41661.520000 | 0.003126 | -0.000969 | 0.000359 | -0.000074 | 0.000089 | -0.000062 | 0.000251 | -0.000288 | 0.000510 | -0.000990 |
| 13590.770000 | 0.008146 | -0.002539 | 0.000940 | -0.000194 | 0.000231 | -0.000156 | 0.000656 | -0.000792 | 0.001112 | -0.001263 |
| 4905.750000 | 0.021339 | -0.006730 | 0.002499 | -0.000515 | 0.000627 | -0.000442 | 0.001746 | -0.001949 | 0.003877 | -0.008912 |
| 1912.746000 | 0.054708 | -0.017682 | 0.006571 | -0.001358 | 0.001601 | -0.001065 | 0.004585 | -0.005714 | 0.006893 | -0.003130 |
| 792.604300 | 0.128454 | -0.043754 | 0.016405 | -0.003383 | 0.004162 | -0.002981 | 0.011483 | -0.012335 | 0.028132 | -0.075349 |
| 344.806500 | 0.252038 | -0.096011 | 0.036372 | -0.007541 | 0.008774 | -0.005692 | 0.025460 | -0.033212 | 0.031398 | 0.028273 |
| 155.899900 | 0.354850 | -0.169986 | 0.066649 | -0.013801 | 0.017383 | -0.012915 | 0.047096 | -0.046419 | 0.143065 | -0.483562 |
| 72.230910 | 0.270431 | -0.184564 | 0.075537 | -0.015887 | 0.017189 | -0.009553 | 0.053688 | -0.086536 | -0.008525 | 0.573114 |
| 32.725060 | 0.064761 | 0.058263 | -0.025868 | 0.005704 | -0.001966 | -0.004371 | -0.019383 | 0.085932 | 0.234993 | -1.834103 |
| 15.667620 | -0.001105 | 0.521638 | -0.312302 | 0.068073 | -0.092853 | 0.074437 | -0.202228 | 0.050118 | -1.246445 | 7.345251 |
| 7.503483 | 0.001846 | 0.493311 | -0.449977 | 0.105263 | -0.113506 | 0.073795 | -0.596652 | 1.421678 | -0.657317 | -12.031488 |
| 3.312223 | -0.000856 | 0.086327 | 0.147734 | -0.045625 | 0.018125 | 0.007274 | 0.606777 | -2.787840 | 5.858322 | 12.113774 |
| 1.558471 | 0.000371 | -0.002850 | 0.729957 | -0.213416 | 0.412680 | -0.479657 | 1.472322 | 0.662359 | -8.195682 | -8.640017 |
| 0.683914 | -0.000147 | 0.001656 | 0.384588 | -0.243537 | 0.103391 | 0.337576 | -1.632203 | 1.954568 | 5.272587 | 3.758261 |
| 0.146757 | 0.000061 | -0.000492 | 0.015829 | 0.343587 | -0.890831 | 0.008050 | -1.820289 | -5.029605 | -4.094956 | -2.060628 |
| 0.070583 | -0.000058 | 0.000476 | -0.009495 | 0.464018 | -0.809613 | 1.549483 | 4.637311 | 6.866319 | 4.427719 | 2.047625 |
| 0.031449 | 0.000028 | -0.000228 | 0.003080 | 0.346883 | 1.523089 | -3.567339 | -3.856493 | -4.124513 | -2.325050 | -1.027158 |
| 0.012580 | -0.000007 | 0.000063 | -0.001005 | 0.012258 | 0.091426 | 2.516351 | 1.288679 | 1.099070 | 0.593119 | 0.261597 |
Comment: iron (21s,15p,10d,6f,4g,2h) -> [10s,9p,8d,6f,4g,2h] converted by Basis Set Exchange