| |
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 | yes | C1 | 1A |
| hartrees | |
|---|---|
| Energy at 0K | -189.982421 |
| Energy at 298.15K | |
| Nuclear repulsion energy |
| A | B | C |
|---|---|---|
| 1.42430 | 0.14915 | 0.13501 |
Point Group is C1