III.G.10.a. |
Energy differences between frozen core and full core for B2PLYP/6-31G**
For ()Energy (hartrees) | |
---|---|
frozen core | -129.7834995 |
correlated core | -129.7851048 |
difference | -0.0016054 |
Energy (hartrees) | |
---|---|
frozen core | -129.7834995 |
correlated core | -129.7851048 |
difference | -0.0016054 |
Energy (hartrees) | |
---|---|
frozen core | -129.7834995 |
correlated core | -129.7851048 |
difference | -0.0016054 |
Energy (hartrees) | |
---|---|
frozen core | -129.7834995 |
correlated core | -129.7851048 |
difference | -0.0016054 |