III.G.10.a. |
Energy differences between frozen core and full core for CCSD/6-31G*
For (hydroxymethylimine)Energy (hartrees) | |
---|---|
frozen core | -188.5966908 |
correlated core | -188.6061038 |
difference | -0.0094130 |
Energy (hartrees) | |
---|---|
frozen core | -188.5966904 |
correlated core | -188.6061038 |
difference | -0.0094134 |
Energy (hartrees) | |
---|---|
frozen core | -188.5979131 |
correlated core | -188.6073089 |
difference | -0.0093958 |
Energy (hartrees) | |
---|---|
frozen core | -188.5979131 |
correlated core | -188.6073089 |
difference | -0.0093959 |