III.G.10.a. |
Energy differences between frozen core and full core for B2PLYP/6-311G**
For ()Energy (hartrees) | |
---|---|
frozen core | -93.3673778 |
correlated core | -93.3779887 |
difference | -0.0106109 |
Energy (hartrees) | |
---|---|
frozen core | -93.3673782 |
correlated core | -93.3779887 |
difference | -0.0106105 |
Energy (hartrees) | |
---|---|
frozen core | -93.3673778 |
correlated core | -93.3779891 |
difference | -0.0106113 |
Energy (hartrees) | |
---|---|
frozen core | -93.3673782 |
correlated core | -93.3779891 |
difference | -0.0106109 |