III.G.10.a. |
Energy differences between frozen core and full core for MP2/6-311G**
For (sulfur monochloride)Energy (hartrees) | |
---|---|
frozen core | -149.9914203 |
correlated core | -150.0284164 |
difference | -0.0369960 |
Energy (hartrees) | |
---|---|
frozen core | -149.9914203 |
correlated core | -150.0284164 |
difference | -0.0369960 |
Energy (hartrees) | |
---|---|
frozen core | -149.9914203 |
correlated core | -150.0284164 |
difference | -0.0369960 |
Energy (hartrees) | |
---|---|
frozen core | -149.9914203 |
correlated core | -150.0284164 |
difference | -0.0369960 |