III.G.10.a. |
Energy differences between frozen core and full core for B2PLYP/6-31G**
For ()Energy (hartrees) | |
---|---|
frozen core | -76.3497279 |
correlated core | -76.3504966 |
difference | -0.0007686 |
Energy (hartrees) | |
---|---|
frozen core | -76.3497279 |
correlated core | -76.3504971 |
difference | -0.0007692 |
Energy (hartrees) | |
---|---|
frozen core | -76.3497285 |
correlated core | -76.3504966 |
difference | -0.0007681 |
Energy (hartrees) | |
---|---|
frozen core | -76.3497285 |
correlated core | -76.3504971 |
difference | -0.0007686 |