III.G.10.a. |
Energy differences between frozen core and full core for MP2/6-31+G**
For ()Energy (hartrees) | |
---|---|
frozen core | -152.0480671 |
correlated core | -152.0609302 |
difference | -0.0128631 |
Energy (hartrees) | |
---|---|
frozen core | -152.0480670 |
correlated core | -152.0609302 |
difference | -0.0128631 |
Energy (hartrees) | |
---|---|
frozen core | -152.0480671 |
correlated core | -152.0609301 |
difference | -0.0128631 |
Energy (hartrees) | |
---|---|
frozen core | -152.0480670 |
correlated core | -152.0609301 |
difference | -0.0128631 |