III.G.10.a. |
Energy differences between frozen core and full core for B2PLYP/6-311G*
For ()Energy (hartrees) | |
---|---|
frozen core | -2076.1811213 |
correlated core | -2076.2991979 |
difference | -0.1180766 |
Energy (hartrees) | |
---|---|
frozen core | -2076.1811213 |
correlated core | -2076.2992021 |
difference | -0.1180807 |
Energy (hartrees) | |
---|---|
frozen core | -2076.1811255 |
correlated core | -2076.2991979 |
difference | -0.1180724 |
Energy (hartrees) | |
---|---|
frozen core | -2076.1811255 |
correlated core | -2076.2992021 |
difference | -0.1180766 |