III.G.10.a. |
Energy differences between frozen core and full core for B2PLYP/6-31G*
For ()Energy (hartrees) | |
---|---|
frozen core | -291.7078788 |
correlated core | -291.7109246 |
difference | -0.0030458 |
Energy (hartrees) | |
---|---|
frozen core | -291.7078788 |
correlated core | -291.7109246 |
difference | -0.0030458 |
Energy (hartrees) | |
---|---|
frozen core | -291.7078814 |
correlated core | -291.7109246 |
difference | -0.0030433 |
Energy (hartrees) | |
---|---|
frozen core | -291.7078788 |
correlated core | -291.7109284 |
difference | -0.0030496 |
Energy (hartrees) | |
---|---|
frozen core | -291.7078788 |
correlated core | -291.7109284 |
difference | -0.0030496 |
Energy (hartrees) | |
---|---|
frozen core | -291.7078814 |
correlated core | -291.7109284 |
difference | -0.0030470 |