III.G.10.a. |
Energy differences between frozen core and full core for MP2/6-31G**
For (Ethene, fluoro-)Energy (hartrees) | |
---|---|
frozen core | -1921.2207202 |
correlated core | -1921.2453064 |
difference | -0.0245862 |
Energy (hartrees) | |
---|---|
frozen core | -1921.2207202 |
correlated core | -1921.2453064 |
difference | -0.0245862 |
Energy (hartrees) | |
---|---|
frozen core | -1921.2207202 |
correlated core | -1921.2453064 |
difference | -0.0245862 |
Energy (hartrees) | |
---|---|
frozen core | -1921.2207202 |
correlated core | -1921.2453064 |
difference | -0.0245862 |