III.G.10.a. |
Energy differences between frozen core and full core for B2PLYP/6-31G*
For ()Energy (hartrees) | |
---|---|
frozen core | -2074.1253403 |
correlated core | -2074.1344171 |
difference | -0.0090768 |
Energy (hartrees) | |
---|---|
frozen core | -2074.1253403 |
correlated core | -2074.1343951 |
difference | -0.0090548 |
Energy (hartrees) | |
---|---|
frozen core | -2074.1253183 |
correlated core | -2074.1344171 |
difference | -0.0090988 |
Energy (hartrees) | |
---|---|
frozen core | -2074.1253183 |
correlated core | -2074.1343951 |
difference | -0.0090768 |