III.G.10.a. |
Energy differences between frozen core and full core for MP2/6-311+G(3df,2p)
For (2-Propanethiol, 2-methyl-)Energy (hartrees) | |
---|---|
frozen core | -323.7102021 |
correlated core | -324.0185882 |
difference | -0.3083860 |
Energy (hartrees) | |
---|---|
frozen core | -323.7102021 |
correlated core | -324.0185882 |
difference | -0.3083860 |
Energy (hartrees) | |
---|---|
frozen core | -323.7102021 |
correlated core | -324.0185882 |
difference | -0.3083860 |
Energy (hartrees) | |
---|---|
frozen core | -323.7102021 |
correlated core | -324.0185882 |
difference | -0.3083860 |