III.G.10.a. |
Energy differences between frozen core and full core for CCSD(T)/6-31G*
For ()Energy (hartrees) | |
---|---|
frozen core | -1921.5356231 |
correlated core | -1921.5606213 |
difference | -0.0249982 |
Energy (hartrees) | |
---|---|
frozen core | -1921.5356231 |
correlated core | -1921.5606213 |
difference | -0.0249982 |
Energy (hartrees) | |
---|---|
frozen core | -1921.5356231 |
correlated core | -1921.5606212 |
difference | -0.0249981 |
Energy (hartrees) | |
---|---|
frozen core | -1921.5356231 |
correlated core | -1921.5606212 |
difference | -0.0249981 |