III.G.10.a. |
Energy differences between frozen core and full core for B2PLYP/6-31G**
For ()Energy (hartrees) | |
---|---|
frozen core | -152.7113331 |
correlated core | -152.7129035 |
difference | -0.0015704 |
Energy (hartrees) | |
---|---|
frozen core | -152.7113383 |
correlated core | -152.7129035 |
difference | -0.0015653 |
Energy (hartrees) | |
---|---|
frozen core | -152.7113331 |
correlated core | -152.7129038 |
difference | -0.0015707 |
Energy (hartrees) | |
---|---|
frozen core | -152.7113383 |
correlated core | -152.7129038 |
difference | -0.0015656 |