III.G.10.a. |
Energy differences between frozen core and full core for B2PLYP/6-31G
For ()Energy (hartrees) | |
---|---|
frozen core | -242.0114525 |
correlated core | -242.0125230 |
difference | -0.0010705 |
Energy (hartrees) | |
---|---|
frozen core | -242.0114525 |
correlated core | -242.0125232 |
difference | -0.0010707 |
Energy (hartrees) | |
---|---|
frozen core | -242.0114527 |
correlated core | -242.0125230 |
difference | -0.0010702 |
Energy (hartrees) | |
---|---|
frozen core | -242.0114527 |
correlated core | -242.0125232 |
difference | -0.0010705 |