III.G.10.a. |
Energy differences between frozen core and full core for B2PLYP/6-311+G(3df,2p)
For ()Energy (hartrees) | |
---|---|
frozen core | -2078.9259270 |
correlated core | -2079.0610365 |
difference | -0.1351095 |
Energy (hartrees) | |
---|---|
frozen core | -2078.9259441 |
correlated core | -2079.0610365 |
difference | -0.1350924 |
Energy (hartrees) | |
---|---|
frozen core | -2078.9259270 |
correlated core | -2079.0610541 |
difference | -0.1351271 |
Energy (hartrees) | |
---|---|
frozen core | -2078.9259441 |
correlated core | -2079.0610541 |
difference | -0.1351101 |