III.G.10.a. |
Energy differences between frozen core and full core for B2PLYP/6-311G*
For ()Energy (hartrees) | |
---|---|
frozen core | -152.7403781 |
correlated core | -152.7509345 |
difference | -0.0105564 |
Energy (hartrees) | |
---|---|
frozen core | -152.7403781 |
correlated core | -152.7509345 |
difference | -0.0105564 |
Energy (hartrees) | |
---|---|
frozen core | -152.7403781 |
correlated core | -152.7509345 |
difference | -0.0105565 |
Energy (hartrees) | |
---|---|
frozen core | -152.7403781 |
correlated core | -152.7509345 |
difference | -0.0105565 |