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 |
---|---|---|---|---|
1 | 1 | no | C2V | 2A2 |
hartrees | |
---|---|
Energy at 0K | -270.300405 |
Energy at 298.15K | |
HF Energy | -269.145456 |
Nuclear repulsion energy | 254.322163 |
Point Group is C2v