III.G.10.a. |
Energy differences between frozen core and full core for B2PLYP/cc-pVDZ
For ()Energy (hartrees) | |
---|---|
frozen core | -152.7194154 |
correlated core | -152.7207754 |
difference | -0.0013599 |
Energy (hartrees) | |
---|---|
frozen core | -152.7194204 |
correlated core | -152.7207754 |
difference | -0.0013550 |
Energy (hartrees) | |
---|---|
frozen core | -152.7194154 |
correlated core | -152.7207753 |
difference | -0.0013599 |
Energy (hartrees) | |
---|---|
frozen core | -152.7194204 |
correlated core | -152.7207753 |
difference | -0.0013550 |