III.G.10.a. |
Energy differences between frozen core and full core for MP2/6-31G**
For SNO (Chloric Acid)Energy (hartrees) | |
---|---|
frozen core | -56.7336803 |
correlated core | -56.7376531 |
difference | -0.0039727 |
Energy (hartrees) | |
---|---|
frozen core | -56.7336803 |
correlated core | -56.7376531 |
difference | -0.0039727 |
Energy (hartrees) | |
---|---|
frozen core | -56.7336803 |
correlated core | -56.7376530 |
difference | -0.0039727 |
Energy (hartrees) | |
---|---|
frozen core | -56.7336803 |
correlated core | -56.7376530 |
difference | -0.0039727 |