III.G.10.a. |
Energy differences between frozen core and full core for MP2/aug-cc-pVDZ
For (Methanimidothioic acid)Energy (hartrees) | |
---|---|
frozen core | -241.9166803 |
correlated core | -241.9213613 |
difference | -0.0046810 |
Energy (hartrees) | |
---|---|
frozen core | -241.9166803 |
correlated core | -241.9213612 |
difference | -0.0046809 |
Energy (hartrees) | |
---|---|
frozen core | -241.9166801 |
correlated core | -241.9213613 |
difference | -0.0046812 |
Energy (hartrees) | |
---|---|
frozen core | -241.9166801 |
correlated core | -241.9213612 |
difference | -0.0046810 |