III.G.10.a. |
Energy differences between frozen core and full core for B2PLYP/6-31G**
For ()Energy (hartrees) | |
---|---|
frozen core | -79.7279893 |
correlated core | -79.7310308 |
difference | -0.0030415 |
Energy (hartrees) | |
---|---|
frozen core | -79.7279912 |
correlated core | -79.7310308 |
difference | -0.0030396 |
Energy (hartrees) | |
---|---|
frozen core | -79.7279893 |
correlated core | -79.7310327 |
difference | -0.0030434 |
Energy (hartrees) | |
---|---|
frozen core | -79.7279912 |
correlated core | -79.7310327 |
difference | -0.0030415 |