III.G.10.a. |
Energy differences between frozen core and full core for B2PLYP/6-31G(2df,p)
For ()Energy (hartrees) | |
---|---|
frozen core | -109.4572147 |
correlated core | -109.4617143 |
difference | -0.0044996 |
Energy (hartrees) | |
---|---|
frozen core | -109.4572147 |
correlated core | -109.4617140 |
difference | -0.0044993 |
Energy (hartrees) | |
---|---|
frozen core | -109.4572147 |
correlated core | -109.4617143 |
difference | -0.0044996 |
Energy (hartrees) | |
---|---|
frozen core | -109.4572147 |
correlated core | -109.4617140 |
difference | -0.0044993 |
Energy (hartrees) | |
---|---|
frozen core | -109.4572144 |
correlated core | -109.4617143 |
difference | -0.0044999 |
Energy (hartrees) | |
---|---|
frozen core | -109.4572144 |
correlated core | -109.4617140 |
difference | -0.0044996 |