III.G.10.a. |
Energy differences between frozen core and full core for B2PLYP/3-21G
For ()Energy (hartrees) | |
---|---|
frozen core | -75.8833331 |
correlated core | -75.8838614 |
difference | -0.0005283 |
Energy (hartrees) | |
---|---|
frozen core | -75.8833331 |
correlated core | -75.8838613 |
difference | -0.0005282 |
Energy (hartrees) | |
---|---|
frozen core | -75.8833330 |
correlated core | -75.8838614 |
difference | -0.0005284 |
Energy (hartrees) | |
---|---|
frozen core | -75.8833330 |
correlated core | -75.8838613 |
difference | -0.0005283 |