III.G.10.a. |
Energy differences between frozen core and full core for MP2/6-31+G**
For C3H5Cl (Lithium boride)Energy (hartrees) | |
---|---|
frozen core | -76.4745229 |
correlated core | -76.4839278 |
difference | -0.0094049 |
Energy (hartrees) | |
---|---|
frozen core | -76.4745229 |
correlated core | -76.4839278 |
difference | -0.0094049 |
Energy (hartrees) | |
---|---|
frozen core | -76.4745229 |
correlated core | -76.4839278 |
difference | -0.0094049 |
Energy (hartrees) | |
---|---|
frozen core | -76.4745229 |
correlated core | -76.4839278 |
difference | -0.0094049 |