III.G.10.a. |
Energy differences between frozen core and full core for B2PLYP/6-31G(2df,p)
For (Chlorine hypofluorite)Energy (hartrees) | |
---|---|
frozen core | -324.3203399 |
correlated core | -324.3276687 |
difference | -0.0073287 |
Energy (hartrees) | |
---|---|
frozen core | -324.3203399 |
correlated core | -324.3276702 |
difference | -0.0073302 |
Energy (hartrees) | |
---|---|
frozen core | -324.3203417 |
correlated core | -324.3276687 |
difference | -0.0073270 |
Energy (hartrees) | |
---|---|
frozen core | -324.3203417 |
correlated core | -324.3276702 |
difference | -0.0073285 |