III.G.10.a. |
Energy differences between frozen core and full core for MP2/6-311G*
For (1H-Pyrazole)Energy (hartrees) | |
---|---|
frozen core | -114.3854649 |
correlated core | -114.4195218 |
difference | -0.0340570 |
Energy (hartrees) | |
---|---|
frozen core | -114.3854649 |
correlated core | -114.4195218 |
difference | -0.0340570 |
Energy (hartrees) | |
---|---|
frozen core | -114.3854649 |
correlated core | -114.4195218 |
difference | -0.0340570 |
Energy (hartrees) | |
---|---|
frozen core | -114.3854649 |
correlated core | -114.4195218 |
difference | -0.0340570 |
Energy (hartrees) | |
---|---|
frozen core | -114.3854648 |
correlated core | -114.4195218 |
difference | -0.0340570 |
Energy (hartrees) | |
---|---|
frozen core | -114.3854648 |
correlated core | -114.4195218 |
difference | -0.0340570 |