III.G.10.a. |
Energy differences between frozen core and full core for CCSD(T)/6-311G**
For (2-fluoroethanol)Energy (hartrees) | |
---|---|
frozen core | -686.7142028 |
correlated core | -686.9584269 |
difference | -0.2442241 |
Energy (hartrees) | |
---|---|
frozen core | -686.7142030 |
correlated core | -686.9584269 |
difference | -0.2442239 |
Energy (hartrees) | |
---|---|
frozen core | -686.7142028 |
correlated core | -686.9584269 |
difference | -0.2442241 |
Energy (hartrees) | |
---|---|
frozen core | -686.7142030 |
correlated core | -686.9584269 |
difference | -0.2442239 |