III.G.10.a. |
Energy differences between frozen core and full core for MP4/daug-cc-pVDZ
For (Methane, chlorotrifluoro-)Energy (hartrees) | |
---|---|
frozen core | -188.6997668 |
correlated core | -188.7071960 |
difference | -0.0074292 |
Energy (hartrees) | |
---|---|
frozen core | -188.7032415 |
correlated core | -188.7106629 |
difference | -0.0074215 |