III.G.10.a. |
Energy differences between frozen core and full core for B2PLYP/TZVP
For (Ethanol, 1,1-dimethyl-)Energy (hartrees) | |
---|---|
frozen core | -184.5882561 |
correlated core | -184.6028236 |
difference | -0.0145675 |
Energy (hartrees) | |
---|---|
frozen core | -184.5882561 |
correlated core | -184.6028231 |
difference | -0.0145670 |
Energy (hartrees) | |
---|---|
frozen core | -184.5882557 |
correlated core | -184.6028236 |
difference | -0.0145679 |
Energy (hartrees) | |
---|---|
frozen core | -184.5882557 |
correlated core | -184.6028231 |
difference | -0.0145675 |