III.G.10.a. |
Energy differences between frozen core and full core for B2PLYP/6-31G**
For ()Energy (hartrees) | |
---|---|
frozen core | -92.6319683 |
correlated core | -92.6341970 |
difference | -0.0022286 |
Energy (hartrees) | |
---|---|
frozen core | -92.6319683 |
correlated core | -92.6341968 |
difference | -0.0022284 |
Energy (hartrees) | |
---|---|
frozen core | -92.6319681 |
correlated core | -92.6341970 |
difference | -0.0022288 |
Energy (hartrees) | |
---|---|
frozen core | -92.6319681 |
correlated core | -92.6341968 |
difference | -0.0022286 |