III.G.10.a. |
Energy differences between frozen core and full core for B2PLYP/6-311G**
For ()Energy (hartrees) | |
---|---|
frozen core | -39.7986247 |
correlated core | -39.8039046 |
difference | -0.0052799 |
Energy (hartrees) | |
---|---|
frozen core | -39.7986247 |
correlated core | -39.8039045 |
difference | -0.0052798 |
Energy (hartrees) | |
---|---|
frozen core | -39.7986246 |
correlated core | -39.8039046 |
difference | -0.0052800 |
Energy (hartrees) | |
---|---|
frozen core | -39.7986246 |
correlated core | -39.8039045 |
difference | -0.0052799 |