III.G.10.a. |
Energy differences between frozen core and full core for B2PLYP/6-311G**
For ()Energy (hartrees) | |
---|---|
frozen core | -1924.6535996 |
correlated core | -1924.7787769 |
difference | -0.1251772 |
Energy (hartrees) | |
---|---|
frozen core | -1924.6536002 |
correlated core | -1924.7787769 |
difference | -0.1251767 |
Energy (hartrees) | |
---|---|
frozen core | -1924.6535996 |
correlated core | -1924.7787785 |
difference | -0.1251789 |
Energy (hartrees) | |
---|---|
frozen core | -1924.6536002 |
correlated core | -1924.7787785 |
difference | -0.1251783 |