Primitives | Contractions... | |
---|---|---|
6.310554 | -0.121033 | -0.037073 |
4.207036 | 0.647552 | 0.225644 |
2.528079 | -1.055289 | -0.402469 |
0.518680 | 0.970409 | 0.549267 |
0.234186 | 0.353509 | 0.284142 |
0.068766 | 0.005014 | -0.706883 |
0.027163 | -0.000066 | -0.549903 |
Comment: ECP81MWB_GUESS: Startorbitale fuer ECP81MWB mit Basis ECP81MWB_AVTZ