III.G.10.a. |
Energy differences between frozen core and full core for B2PLYP/3-21G
For ()Energy (hartrees) | |
---|---|
frozen core | -290.1631894 |
correlated core | -290.1649483 |
difference | -0.0017589 |
Energy (hartrees) | |
---|---|
frozen core | -290.1631974 |
correlated core | -290.1649483 |
difference | -0.0017508 |
Energy (hartrees) | |
---|---|
frozen core | -290.1631894 |
correlated core | -290.1649577 |
difference | -0.0017683 |
Energy (hartrees) | |
---|---|
frozen core | -290.1631974 |
correlated core | -290.1649577 |
difference | -0.0017603 |