III.G.10.a. |
Energy differences between frozen core and full core for B2PLYP/3-21G
For ()Energy (hartrees) | |
---|---|
frozen core | -149.3358894 |
correlated core | -149.3369129 |
difference | -0.0010236 |
Energy (hartrees) | |
---|---|
frozen core | -149.3358894 |
correlated core | -149.3369002 |
difference | -0.0010108 |
Energy (hartrees) | |
---|---|
frozen core | -149.3358766 |
correlated core | -149.3369129 |
difference | -0.0010363 |
Energy (hartrees) | |
---|---|
frozen core | -149.3358766 |
correlated core | -149.3369002 |
difference | -0.0010236 |