Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
You are here: Calculated > Energy > Optimized > Energy |
State | Conformation | minimum conformation | conformer description | state description |
---|---|---|---|---|
2 | 1 | yes | C*V | 1Σ |
hartrees | |
---|---|
Energy at 0K | -792.632220 |
Energy at 298.15K | -792.632465 |
Nuclear repulsion energy | 63.694097 |