III.G.10.a. |
Energy differences between frozen core and full core for MP2/6-31G**
For (1,4-dichlorobenzene)Energy (hartrees) | |
---|---|
frozen core | -398.1728386 |
correlated core | -398.1833387 |
difference | -0.0105001 |
Energy (hartrees) | |
---|---|
frozen core | -398.1728386 |
correlated core | -398.1833387 |
difference | -0.0105001 |
Energy (hartrees) | |
---|---|
frozen core | -398.1728386 |
correlated core | -398.1833387 |
difference | -0.0105001 |
Energy (hartrees) | |
---|---|
frozen core | -398.1728386 |
correlated core | -398.1833387 |
difference | -0.0105001 |