III.G.10.a. |
Energy differences between frozen core and full core for B2PLYP/6-311G*
For (dichloromethyl radical)Energy (hartrees) | |
---|---|
frozen core | -188.9884306 |
correlated core | -189.0042346 |
difference | -0.0158041 |
Energy (hartrees) | |
---|---|
frozen core | -188.9906414 |
correlated core | -189.0064439 |
difference | -0.0158025 |