III.G.10.a. |
Energy differences between frozen core and full core for B2PLYP/6-31+G**
For ()Energy (hartrees) | |
---|---|
frozen core | -291.7224015 |
correlated core | -291.7261147 |
difference | -0.0037131 |
Energy (hartrees) | |
---|---|
frozen core | -291.7224040 |
correlated core | -291.7261147 |
difference | -0.0037107 |
Energy (hartrees) | |
---|---|
frozen core | -291.7224015 |
correlated core | -291.7261173 |
difference | -0.0037158 |
Energy (hartrees) | |
---|---|
frozen core | -291.7224040 |
correlated core | -291.7261173 |
difference | -0.0037134 |