Primitives | Contractions... | |
---|---|---|
5.800429 | -0.156141 | 0.049139 |
3.866953 | 0.938474 | -0.342982 |
2.560038 | -1.352396 | 0.538097 |
0.535133 | 0.999748 | -0.610700 |
0.253494 | 0.351104 | -0.266719 |
0.074302 | 0.013163 | 0.717070 |
0.029483 | -0.002488 | 0.542795 |
Comment: ECP80MWB_GUESS: Startorbitale fuer ECP80MWB mit Basis ECP80MWB_AVTZ