III.G.10.a. |
Energy differences between frozen core and full core for CCSD(T)/6-31G*
For (dibromofluoromethane)Energy (hartrees) | |
---|---|
frozen core | -2.9323131 |
correlated core | -2.9323147 |
difference | -0.0000016 |
Energy (hartrees) | |
---|---|
frozen core | -2.9323131 |
correlated core | -2.9323147 |
difference | -0.0000016 |
Energy (hartrees) | |
---|---|
frozen core | -2.9323131 |
correlated core | -2.9323131 |
difference | -0.0000000 |
Energy (hartrees) | |
---|---|
frozen core | -2.9323131 |
correlated core | -2.9323131 |
difference | -0.0000000 |