III.G.10.a. |
Energy differences between frozen core and full core for CCSD/6-31G**
For ()Energy (hartrees) | |
---|---|
frozen core | -460.2219367 |
correlated core | -460.2311589 |
difference | -0.0092222 |
Energy (hartrees) | |
---|---|
frozen core | -460.2219367 |
correlated core | -460.2311589 |
difference | -0.0092222 |
Energy (hartrees) | |
---|---|
frozen core | -460.2219367 |
correlated core | -460.2311589 |
difference | -0.0092222 |