III.G.10.a. |
Energy differences between frozen core and full core for B2PLYP/3-21G
For ()Energy (hartrees) | |
---|---|
frozen core | -2067.6609549 |
correlated core | -2067.6620262 |
difference | -0.0010712 |
Energy (hartrees) | |
---|---|
frozen core | -2067.6609603 |
correlated core | -2067.6620262 |
difference | -0.0010659 |
Energy (hartrees) | |
---|---|
frozen core | -2067.6609549 |
correlated core | -2067.6620315 |
difference | -0.0010765 |
Energy (hartrees) | |
---|---|
frozen core | -2067.6609603 |
correlated core | -2067.6620315 |
difference | -0.0010712 |