III.G.10.a. |
Energy differences between frozen core and full core for B2PLYP/6-31+G**
For ()Energy (hartrees) | |
---|---|
frozen core | -139.8323315 |
correlated core | -139.8363573 |
difference | -0.0040258 |
Energy (hartrees) | |
---|---|
frozen core | -139.8323315 |
correlated core | -139.8363573 |
difference | -0.0040258 |
Energy (hartrees) | |
---|---|
frozen core | -139.8323315 |
correlated core | -139.8363573 |
difference | -0.0040258 |
Energy (hartrees) | |
---|---|
frozen core | -139.8323315 |
correlated core | -139.8363573 |
difference | -0.0040258 |