III.G.10.a. |
Energy differences between frozen core and full core for MP2/6-311G*
For CH3SCH3+ ((E)-1,2-Dimethyldiazene)Energy (hartrees) | |
---|---|
frozen core | -56.7264224 |
correlated core | -56.7451501 |
difference | -0.0187277 |
Energy (hartrees) | |
---|---|
frozen core | -56.7264223 |
correlated core | -56.7451501 |
difference | -0.0187277 |
Energy (hartrees) | |
---|---|
frozen core | -56.7264224 |
correlated core | -56.7451501 |
difference | -0.0187276 |
Energy (hartrees) | |
---|---|
frozen core | -56.7264223 |
correlated core | -56.7451501 |
difference | -0.0187277 |