Primitives | Contractions... | |
---|---|---|
7.684313 | -0.086959 | 0.021559 |
5.122876 | 0.690866 | -0.222166 |
3.415250 | -1.099716 | 0.388026 |
0.695240 | 0.917457 | -0.471524 |
0.303646 | 0.392154 | -0.312385 |
0.085243 | 0.004126 | 0.669370 |
0.032454 | 0.000614 | 0.576685 |
Comment: ECP87MWB_GUESS: Startorbitale fuer ECP87MWB mit Basis ECP87MWB_AVTZ