III.G.10.a. |
Energy differences between frozen core and full core for CCSD(T)/6-31G*
For (trifluoroacetyl fluoride)Energy (hartrees) | |
---|---|
frozen core | -1921.2372138 |
correlated core | -1921.2631765 |
difference | -0.0259627 |
Energy (hartrees) | |
---|---|
frozen core | -1921.2372138 |
correlated core | -1921.2631763 |
difference | -0.0259625 |
Energy (hartrees) | |
---|---|
frozen core | -1921.2372138 |
correlated core | -1921.2631765 |
difference | -0.0259627 |
Energy (hartrees) | |
---|---|
frozen core | -1921.2372138 |
correlated core | -1921.2631763 |
difference | -0.0259625 |