III.G.10.a. |
Energy differences between frozen core and full core for B2PLYP/6-311+G(3df,2p)
For ()Energy (hartrees) | |
---|---|
frozen core | -2077.6882685 |
correlated core | -2077.8222341 |
difference | -0.1339657 |
Energy (hartrees) | |
---|---|
frozen core | -2077.6882634 |
correlated core | -2077.8222341 |
difference | -0.1339707 |
Energy (hartrees) | |
---|---|
frozen core | -2077.6882685 |
correlated core | -2077.8222274 |
difference | -0.1339589 |
Energy (hartrees) | |
---|---|
frozen core | -2077.6882634 |
correlated core | -2077.8222274 |
difference | -0.1339640 |