III.G.10.a. |
Energy differences between frozen core and full core for B2PLYP/6-31+G**
For ()Energy (hartrees) | |
---|---|
frozen core | -4155.6959895 |
correlated core | -4155.7168098 |
difference | -0.0208203 |
Energy (hartrees) | |
---|---|
frozen core | -4155.6959392 |
correlated core | -4155.7168098 |
difference | -0.0208706 |
Energy (hartrees) | |
---|---|
frozen core | -4155.6959895 |
correlated core | -4155.7167593 |
difference | -0.0207698 |
Energy (hartrees) | |
---|---|
frozen core | -4155.6959392 |
correlated core | -4155.7167593 |
difference | -0.0208201 |