III.G.10.a. |
Energy differences between frozen core and full core for B2PLYP/6-311+G(3df,2p)
For (Difluoromethylene)Energy (hartrees) | |
---|---|
frozen core | -189.0470619 |
correlated core | -189.0662314 |
difference | -0.0191696 |
Energy (hartrees) | |
---|---|
frozen core | -189.0501743 |
correlated core | -189.0693402 |
difference | -0.0191659 |