III.G.10.a. |
Energy differences between frozen core and full core for B2PLYP/6-31G
For ()Energy (hartrees) | |
---|---|
frozen core | -152.6019613 |
correlated core | -152.6025749 |
difference | -0.0006136 |
Energy (hartrees) | |
---|---|
frozen core | -152.6019614 |
correlated core | -152.6025749 |
difference | -0.0006135 |
Energy (hartrees) | |
---|---|
frozen core | -152.6019613 |
correlated core | -152.6025761 |
difference | -0.0006148 |
Energy (hartrees) | |
---|---|
frozen core | -152.6019614 |
correlated core | -152.6025761 |
difference | -0.0006147 |