III.G.10.a. |
Energy differences between frozen core and full core for B2PLYP/6-311+G(3df,2p)
For ()Energy (hartrees) | |
---|---|
frozen core | -2151.7733704 |
correlated core | -2151.9141706 |
difference | -0.1408002 |
Energy (hartrees) | |
---|---|
frozen core | -2151.7733855 |
correlated core | -2151.9141706 |
difference | -0.1407851 |
Energy (hartrees) | |
---|---|
frozen core | -2151.7733704 |
correlated core | -2151.9141868 |
difference | -0.1408164 |
Energy (hartrees) | |
---|---|
frozen core | -2151.7733855 |
correlated core | -2151.9141868 |
difference | -0.1408013 |