III.G.10.a. |
Energy differences between frozen core and full core for B2PLYP/6-31G
For ()Energy (hartrees) | |
---|---|
frozen core | -291.6608070 |
correlated core | -291.6619421 |
difference | -0.0011351 |
Energy (hartrees) | |
---|---|
frozen core | -291.6608087 |
correlated core | -291.6619421 |
difference | -0.0011334 |
Energy (hartrees) | |
---|---|
frozen core | -291.6608070 |
correlated core | -291.6619438 |
difference | -0.0011368 |
Energy (hartrees) | |
---|---|
frozen core | -291.6608087 |
correlated core | -291.6619438 |
difference | -0.0011351 |