III.G.10.a. |
Energy differences between frozen core and full core for MP2/6-31G**
For (Thionyl Fluoride)Energy (hartrees) | |
---|---|
frozen core | -113.6923073 |
correlated core | -113.7056456 |
difference | -0.0133384 |
Energy (hartrees) | |
---|---|
frozen core | -113.6923073 |
correlated core | -113.7056456 |
difference | -0.0133384 |
Energy (hartrees) | |
---|---|
frozen core | -113.6923073 |
correlated core | -113.7056456 |
difference | -0.0133384 |
Energy (hartrees) | |
---|---|
frozen core | -113.6923073 |
correlated core | -113.7056456 |
difference | -0.0133384 |
Energy (hartrees) | |
---|---|
frozen core | -113.6923073 |
correlated core | -113.7056455 |
difference | -0.0133382 |
Energy (hartrees) | |
---|---|
frozen core | -113.6923073 |
correlated core | -113.7056456 |
difference | -0.0133384 |
Energy (hartrees) | |
---|---|
frozen core | -113.6923073 |
correlated core | -113.7056455 |
difference | -0.0133382 |
Energy (hartrees) | |
---|---|
frozen core | -113.6923073 |
correlated core | -113.7056456 |
difference | -0.0133384 |