III.G.10.a. |
Energy differences between frozen core and full core for B2PLYP/6-31G**
For ()Energy (hartrees) | |
---|---|
frozen core | -2075.6284242 |
correlated core | -2075.6387765 |
difference | -0.0103523 |
Energy (hartrees) | |
---|---|
frozen core | -2075.6283954 |
correlated core | -2075.6387765 |
difference | -0.0103812 |
Energy (hartrees) | |
---|---|
frozen core | -2075.6284242 |
correlated core | -2075.6387471 |
difference | -0.0103228 |
Energy (hartrees) | |
---|---|
frozen core | -2075.6283954 |
correlated core | -2075.6387471 |
difference | -0.0103517 |