III.G.10.a. |
Energy differences between frozen core and full core for CCSD(T)/cc-pVQZ
For (2,2,2-Trifluoroethyl chloride)Energy (hartrees) | |
---|---|
frozen core | -75.7024001 |
correlated core | -75.7330349 |
difference | -0.0306348 |
Energy (hartrees) | |
---|---|
frozen core | -75.7023998 |
correlated core | -75.7330349 |
difference | -0.0306351 |
Energy (hartrees) | |
---|---|
frozen core | -75.7024001 |
correlated core | -75.7330347 |
difference | -0.0306346 |
Energy (hartrees) | |
---|---|
frozen core | -75.7023998 |
correlated core | -75.7330347 |
difference | -0.0306349 |