III.G.10.a. |
Energy differences between frozen core and full core for B2PLYP/6-31G**
For ()Energy (hartrees) | |
---|---|
frozen core | -2075.9421294 |
correlated core | -2075.9526747 |
difference | -0.0105454 |
Energy (hartrees) | |
---|---|
frozen core | -2075.9421138 |
correlated core | -2075.9526747 |
difference | -0.0105609 |
Energy (hartrees) | |
---|---|
frozen core | -2075.9421294 |
correlated core | -2075.9526600 |
difference | -0.0105306 |
Energy (hartrees) | |
---|---|
frozen core | -2075.9421138 |
correlated core | -2075.9526600 |
difference | -0.0105462 |