III.G.10.a. |
Energy differences between frozen core and full core for CCSD(T)/6-31+G**
For ()Energy (hartrees) | |
---|---|
frozen core | -340.7646732 |
correlated core | -340.7646732 |
difference | 0.0000000 |
Energy (hartrees) | |
---|---|
frozen core | -340.7646732 |
correlated core | -340.7646732 |
difference | 0.0000000 |
Energy (hartrees) | |
---|---|
frozen core | -340.7646871 |
correlated core | -340.7646732 |
difference | 0.0000139 |