III.G.10.a. |
Energy differences between frozen core and full core for B2PLYP/6-31G(2df,p)
For (Ethene, ethoxy-)Energy (hartrees) | |
---|---|
frozen core | -184.5532537 |
correlated core | -184.5602834 |
difference | -0.0070297 |
Energy (hartrees) | |
---|---|
frozen core | -184.5532537 |
correlated core | -184.5602828 |
difference | -0.0070291 |
Energy (hartrees) | |
---|---|
frozen core | -184.5532537 |
correlated core | -184.5602834 |
difference | -0.0070297 |
Energy (hartrees) | |
---|---|
frozen core | -184.5532537 |
correlated core | -184.5602828 |
difference | -0.0070291 |
Energy (hartrees) | |
---|---|
frozen core | -184.5532531 |
correlated core | -184.5602834 |
difference | -0.0070303 |
Energy (hartrees) | |
---|---|
frozen core | -184.5532531 |
correlated core | -184.5602828 |
difference | -0.0070297 |