III.G.10.a. |
Energy differences between frozen core and full core for MP2/6-311+G(3df,2p)
For (chlorofluoromethylene)Energy (hartrees) | |
---|---|
frozen core | -76.2078749 |
correlated core | -76.2303528 |
difference | -0.0224779 |
Energy (hartrees) | |
---|---|
frozen core | -76.2078749 |
correlated core | -76.2303529 |
difference | -0.0224780 |