III.G.10.a. |
Energy differences between frozen core and full core for MP2/6-311G**
For ()Energy (hartrees) | |
---|---|
frozen core | -229.2663014 |
correlated core | -229.3222015 |
difference | -0.0559001 |
Energy (hartrees) | |
---|---|
frozen core | -229.2663014 |
correlated core | -229.3222015 |
difference | -0.0559002 |
Energy (hartrees) | |
---|---|
frozen core | -229.2663014 |
correlated core | -229.3222015 |
difference | -0.0559001 |
Energy (hartrees) | |
---|---|
frozen core | -229.2663014 |
correlated core | -229.3222015 |
difference | -0.0559002 |