III.G.10.a. |
Energy differences between frozen core and full core for B2PLYP/6-311G**
For ()Energy (hartrees) | |
---|---|
frozen core | -2077.6817962 |
correlated core | -2077.8016278 |
difference | -0.1198316 |
Energy (hartrees) | |
---|---|
frozen core | -2077.6817913 |
correlated core | -2077.8016278 |
difference | -0.1198365 |
Energy (hartrees) | |
---|---|
frozen core | -2077.6817962 |
correlated core | -2077.8016213 |
difference | -0.1198250 |
Energy (hartrees) | |
---|---|
frozen core | -2077.6817913 |
correlated core | -2077.8016213 |
difference | -0.1198300 |