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Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology |
| You are here: Calculated > Geometry > Calculated geometry > One type of bond | |
M06-2X/6-311+G(3df,2p)
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| 1.60 | 1.62 | 1.64 | 1.66 | 1.68 | 1.70 | 1.72 | 1.74 | 1.76 | 1.78 | 1.80 | 1.82 | ||||||||||||||||||||||||||
| bond lengths (Å) | |||||||||||||||||||||||||||||||||||||
| Average bond length | Standard deviation |
|---|---|
| 1.676 | 0.069 |
| Species | Name | Bond Length (Å) | |
|---|---|---|---|
| Lowest value | BrO+ | Bromine monoxide cation | 1.620 |
| Highest value | BrO- | Bromine monoxide anion | 1.796 |
| Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
|---|---|---|---|---|
| BrO- | Bromine monoxide anion | 1.796 | 1 | 2 |
| BrO | Bromine monoxide | 1.711 | 1 | 2 |
| BrO+ | Bromine monoxide cation | 1.620 | 1 | 2 |
| OBrO | Bromine dioxide radical | 1.625 | 1 | 2 |
| 1.625 | 1 | 3 |