III.G.10.a. |
Energy differences between frozen core and full core for MP2/6-31+G**
For (Propane, 2-methoxy-)Energy (hartrees) | |
---|---|
frozen core | -833.2689797 |
correlated core | -833.2975279 |
difference | -0.0285482 |
Energy (hartrees) | |
---|---|
frozen core | -833.2689797 |
correlated core | -833.2975279 |
difference | -0.0285482 |
Energy (hartrees) | |
---|---|
frozen core | -833.2689797 |
correlated core | -833.2975279 |
difference | -0.0285482 |
Energy (hartrees) | |
---|---|
frozen core | -833.2689797 |
correlated core | -833.2975279 |
difference | -0.0285482 |