III.G.10.a. |
Energy differences between frozen core and full core for MP2/6-31G
For CH2BrCH2Cl (Ethane, methoxy-)Energy (hartrees) | |
---|---|
frozen core | -139.2092914 |
correlated core | -139.2116133 |
difference | -0.0023219 |
Energy (hartrees) | |
---|---|
frozen core | -139.2092913 |
correlated core | -139.2116133 |
difference | -0.0023220 |
Energy (hartrees) | |
---|---|
frozen core | -139.2092914 |
correlated core | -139.2116133 |
difference | -0.0023219 |
Energy (hartrees) | |
---|---|
frozen core | -139.2092914 |
correlated core | -139.2116134 |
difference | -0.0023221 |
Energy (hartrees) | |
---|---|
frozen core | -139.2092913 |
correlated core | -139.2116134 |
difference | -0.0023221 |
Energy (hartrees) | |
---|---|
frozen core | -139.2092914 |
correlated core | -139.2116134 |
difference | -0.0023220 |