III.G.10.a. |
Energy differences between frozen core and full core for MP2/3-21G*
For (fluorotribromomethane)Energy (hartrees) | |
---|---|
frozen core | -1914.0223828 |
correlated core | -1914.0313725 |
difference | -0.0089897 |
Energy (hartrees) | |
---|---|
frozen core | -1914.0223828 |
correlated core | -1914.0313725 |
difference | -0.0089897 |
Energy (hartrees) | |
---|---|
frozen core | -1914.0223828 |
correlated core | -1914.0313725 |
difference | -0.0089897 |
Energy (hartrees) | |
---|---|
frozen core | -1914.0223828 |
correlated core | -1914.0313725 |
difference | -0.0089897 |