III.G.10.a. |
Energy differences between frozen core and full core for B2PLYP/6-31G*
For ()Energy (hartrees) | |
---|---|
frozen core | -2149.6650697 |
correlated core | -2149.6766004 |
difference | -0.0115307 |
Energy (hartrees) | |
---|---|
frozen core | -2149.6650544 |
correlated core | -2149.6766004 |
difference | -0.0115460 |
Energy (hartrees) | |
---|---|
frozen core | -2149.6650697 |
correlated core | -2149.6765861 |
difference | -0.0115164 |
Energy (hartrees) | |
---|---|
frozen core | -2149.6650544 |
correlated core | -2149.6765861 |
difference | -0.0115317 |