III.G.10.a. |
Energy differences between frozen core and full core for MP2/TZVP
For C6H4Cl2 (Dihydro-2-(3H)-thiophenone)Energy (hartrees) | |
---|---|
frozen core | -184.2994807 |
correlated core | -184.3508266 |
difference | -0.0513459 |
Energy (hartrees) | |
---|---|
frozen core | -184.2994807 |
correlated core | -184.3508266 |
difference | -0.0513459 |
Energy (hartrees) | |
---|---|
frozen core | -184.2994807 |
correlated core | -184.3508266 |
difference | -0.0513459 |
Energy (hartrees) | |
---|---|
frozen core | -184.2994807 |
correlated core | -184.3508266 |
difference | -0.0513459 |