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MOLPRO Basis Query, element=Ca, basis=ECP10MHF_GUESS, l=s
| Primitives | Contractions... | |
|---|---|---|
| 113.083225 | 0.003145 | -0.000826 |
| 44.702004 | -0.013252 | 0.003473 |
| 16.203128 | 0.075230 | -0.020137 |
| 7.132736 | -0.123893 | 0.035422 |
| 3.108308 | -0.388028 | 0.105474 |
| 1.044560 | 0.697869 | -0.215853 |
| 0.413804 | 0.576934 | -0.337102 |
| 0.213452 | 0.019822 | -0.039875 |
| 0.069719 | 0.017015 | 0.603483 |
| 0.030388 | -0.014348 | 0.503827 |
| 0.017800 | 0.008256 | 0.062878 |
| 0.006980 | -0.001359 | 0.007698 |
Comment: ECP10MDF_GUESS: Startorbitale fuer ECP10MDF mit Basis ECP10MDF