III.G.10.a. |
Energy differences between frozen core and full core for B2PLYP/6-31G(2df,p)
For ()Energy (hartrees) | |
---|---|
frozen core | -152.7480240 |
correlated core | -152.7520594 |
difference | -0.0040354 |
Energy (hartrees) | |
---|---|
frozen core | -152.7480240 |
correlated core | -152.7520594 |
difference | -0.0040354 |
Energy (hartrees) | |
---|---|
frozen core | -152.7480240 |
correlated core | -152.7520593 |
difference | -0.0040354 |
Energy (hartrees) | |
---|---|
frozen core | -152.7480240 |
correlated core | -152.7520593 |
difference | -0.0040354 |