III.G.10.a. |
Energy differences between frozen core and full core for MP2/6-31G
For (Nitrosyl hydride)Energy (hartrees) | |
---|---|
frozen core | -82.3591530 |
correlated core | -82.3603856 |
difference | -0.0012326 |
Energy (hartrees) | |
---|---|
frozen core | -82.3477052 |
correlated core | -82.3603856 |
difference | -0.0126805 |
Energy (hartrees) | |
---|---|
frozen core | -82.3591530 |
correlated core | -82.3603856 |
difference | -0.0012326 |
Energy (hartrees) | |
---|---|
frozen core | -82.3477052 |
correlated core | -82.3603856 |
difference | -0.0126805 |