III.G.10.a. |
Energy differences between frozen core and full core for MP2/6-31G
For (Ethene, 1,2-dichloro-, (Z)-)Energy (hartrees) | |
---|---|
frozen core | -114.2135392 |
correlated core | -114.2155703 |
difference | -0.0020312 |
Energy (hartrees) | |
---|---|
frozen core | -114.2135392 |
correlated core | -114.2155703 |
difference | -0.0020312 |
Energy (hartrees) | |
---|---|
frozen core | -114.2135391 |
correlated core | -114.2155703 |
difference | -0.0020312 |
Energy (hartrees) | |
---|---|
frozen core | -114.2135391 |
correlated core | -114.2155703 |
difference | -0.0020312 |