III.G.10.a. |
Energy differences between frozen core and full core for B2PLYP/6-311G**
For ()Energy (hartrees) | |
---|---|
frozen core | -40.4734535 |
correlated core | -40.4788451 |
difference | -0.0053917 |
Energy (hartrees) | |
---|---|
frozen core | -40.4734535 |
correlated core | -40.4788423 |
difference | -0.0053888 |
Energy (hartrees) | |
---|---|
frozen core | -40.4734506 |
correlated core | -40.4788451 |
difference | -0.0053945 |
Energy (hartrees) | |
---|---|
frozen core | -40.4734506 |
correlated core | -40.4788423 |
difference | -0.0053917 |