III.G.10.a. |
Energy differences between frozen core and full core for MP2/cc-pVTZ
For (ethane, 1,2-dichloro-1,2-difluoro-)Energy (hartrees) | |
---|---|
frozen core | -114.4600925 |
correlated core | -114.4801065 |
difference | -0.0200141 |
Energy (hartrees) | |
---|---|
frozen core | -114.4600925 |
correlated core | -114.4801064 |
difference | -0.0200139 |
Energy (hartrees) | |
---|---|
frozen core | -114.4600923 |
correlated core | -114.4801065 |
difference | -0.0200142 |
Energy (hartrees) | |
---|---|
frozen core | -114.4600923 |
correlated core | -114.4801064 |
difference | -0.0200141 |