III.G.10.a. |
Energy differences between frozen core and full core for MP2/6-31+G**
For C4H10O (boron dihydride)Energy (hartrees) | |
---|---|
frozen core | -114.3466971 |
correlated core | -114.3535198 |
difference | -0.0068227 |
Energy (hartrees) | |
---|---|
frozen core | -114.3466971 |
correlated core | -114.3535198 |
difference | -0.0068227 |
Energy (hartrees) | |
---|---|
frozen core | -114.3466971 |
correlated core | -114.3535198 |
difference | -0.0068227 |
Energy (hartrees) | |
---|---|
frozen core | -114.3466971 |
correlated core | -114.3535198 |
difference | -0.0068227 |