III.G.10.a. |
Energy differences between frozen core and full core for MP2/6-31G**
For CH3SCH3+ (Aresenic dioxide)Energy (hartrees) | |
---|---|
frozen core | -114.2927601 |
correlated core | -114.2991086 |
difference | -0.0063485 |
Energy (hartrees) | |
---|---|
frozen core | -114.2927601 |
correlated core | -114.2991086 |
difference | -0.0063485 |
Energy (hartrees) | |
---|---|
frozen core | -114.2927601 |
correlated core | -114.2991086 |
difference | -0.0063485 |
Energy (hartrees) | |
---|---|
frozen core | -114.2927601 |
correlated core | -114.2991086 |
difference | -0.0063485 |