MOLPRO Basis Query, element=Er, basis=ROOS_DZP, l=s
Basis Er s ROOS_DZP
| Primitives | Contractions... |
|---|
| 49289000.000000 | 0.000571 | -0.000211 | 0.000099 | -0.000048 | 0.000018 | -0.000005 | 0.000013 |
| 10149989.500000 | 0.000987 | -0.000365 | 0.000171 | -0.000083 | 0.000032 | -0.000009 | 0.000023 |
| 2625820.850000 | 0.002548 | -0.000944 | 0.000443 | -0.000214 | 0.000082 | -0.000023 | 0.000060 |
| 761777.638000 | 0.005334 | -0.001984 | 0.000931 | -0.000450 | 0.000173 | -0.000049 | 0.000126 |
| 242801.040000 | 0.011440 | -0.004287 | 0.002015 | -0.000975 | 0.000374 | -0.000106 | 0.000274 |
| 83441.916000 | 0.023459 | -0.008902 | 0.004192 | -0.002029 | 0.000779 | -0.000220 | 0.000568 |
| 30574.255600 | 0.048135 | -0.018670 | 0.008823 | -0.004272 | 0.001642 | -0.000463 | 0.001206 |
| 11810.961900 | 0.097168 | -0.039121 | 0.018595 | -0.009026 | 0.003463 | -0.000977 | 0.002518 |
| 4761.326270 | 0.187878 | -0.081147 | 0.039036 | -0.018968 | 0.007306 | -0.002063 | 0.005397 |
| 1991.262350 | 0.309813 | -0.152455 | 0.074977 | -0.036727 | 0.014093 | -0.003974 | 0.010171 |
| 861.403109 | 0.342910 | -0.210957 | 0.108298 | -0.053312 | 0.020690 | -0.005850 | 0.015593 |
| 381.592297 | 0.161561 | -0.060534 | 0.027340 | -0.013635 | 0.004868 | -0.001345 | 0.002337 |
| 174.761459 | 0.010156 | 0.436778 | -0.342817 | 0.189107 | -0.073616 | 0.020763 | -0.051153 |
| 83.056170 | 0.003212 | 0.571669 | -0.637701 | 0.377746 | -0.154919 | 0.044172 | -0.124412 |
| 40.481947 | -0.002482 | 0.146357 | 0.100519 | -0.081474 | 0.042159 | -0.012574 | 0.052026 |
| 20.133744 | 0.001668 | 0.005769 | 0.917135 | -1.059253 | 0.480378 | -0.137741 | 0.350751 |
| 9.813972 | -0.001032 | -0.001246 | 0.308641 | -0.210961 | 0.111712 | -0.034240 | 0.141915 |
| 4.685380 | 0.000564 | 0.000711 | 0.004266 | 1.082928 | -0.832558 | 0.258947 | -1.044902 |
| 2.133291 | -0.000255 | -0.000445 | 0.003338 | 0.390087 | -0.367069 | 0.117193 | 0.363339 |
| 0.788903 | 0.000114 | 0.000212 | -0.001112 | -0.003452 | 0.926880 | -0.372777 | 1.026585 |
| 0.315561 | -0.000068 | -0.000128 | 0.000588 | 0.006907 | 0.458295 | -0.409581 | -0.319319 |
| 0.126224 | 0.000040 | 0.000076 | -0.000346 | -0.003667 | -0.016251 | 0.227566 | -0.991017 |
| 0.050490 | -0.000022 | -0.000042 | 0.000180 | 0.001966 | 0.032492 | 0.787158 | -0.296205 |
| 0.020196 | 0.000010 | 0.000020 | -0.000091 | -0.000969 | -0.002343 | 0.235238 | 1.048236 |
| 0.008078 | -0.000003 | -0.000006 | 0.000025 | 0.000275 | 0.002185 | 0.009186 | 0.078152 |
Comment: B. O. Roos, R. Lindh, P.-A. Malmqvist, V. Veryazov, P.-O. Widmark, J. Phys. Chem. A, 112, 11431-11435 (2008)
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