III.G.10.a. |
Energy differences between frozen core and full core for B2PLYP/6-31G
For ()Energy (hartrees) | |
---|---|
frozen core | -2075.7817856 |
correlated core | -2075.7858873 |
difference | -0.0041018 |
Energy (hartrees) | |
---|---|
frozen core | -2075.7817698 |
correlated core | -2075.7858873 |
difference | -0.0041175 |
Energy (hartrees) | |
---|---|
frozen core | -2075.7817856 |
correlated core | -2075.7858720 |
difference | -0.0040864 |
Energy (hartrees) | |
---|---|
frozen core | -2075.7817698 |
correlated core | -2075.7858720 |
difference | -0.0041021 |