III.G.10.a. |
Energy differences between frozen core and full core for B2PLYP/6-31G(2df,p)
For (difluorodichloromethane)Energy (hartrees) | |
---|---|
frozen core | -762.1234806 |
correlated core | -762.1936117 |
difference | -0.0701311 |
Energy (hartrees) | |
---|---|
frozen core | -762.1234806 |
correlated core | -762.1936117 |
difference | -0.0701311 |