III.G.10.a. |
Energy differences between frozen core and full core for CCSD(T)/6-31G*
For CH2ClCHO (Methyl chloride)Energy (hartrees) | |
---|---|
frozen core | -114.3098840 |
correlated core | -114.3161901 |
difference | -0.0063060 |
Energy (hartrees) | |
---|---|
frozen core | -114.3098840 |
correlated core | -114.3161901 |
difference | -0.0063060 |