III.G.10.a. |
Energy differences between frozen core and full core for B2PLYP/6-31G
For ()Energy (hartrees) | |
---|---|
frozen core | -1922.6229813 |
correlated core | -1922.6269770 |
difference | -0.0039957 |
Energy (hartrees) | |
---|---|
frozen core | -1922.6229492 |
correlated core | -1922.6269770 |
difference | -0.0040278 |
Energy (hartrees) | |
---|---|
frozen core | -1922.6229813 |
correlated core | -1922.6269450 |
difference | -0.0039638 |
Energy (hartrees) | |
---|---|
frozen core | -1922.6229492 |
correlated core | -1922.6269450 |
difference | -0.0039958 |