Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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CCD/3-21G
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1 | |||||||||||||||||||||||||||||||
0 | |||||||||||||||||||||||||||||||
1.65 | 1.70 | 1.75 | 1.80 | 1.85 | 1.90 | 1.95 | 2.00 | 2.05 | 2.10 | ||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.862 | 0.093 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | BrO+ | Bromine monoxide cation | 1.677 |
Highest value | BrO- | Bromine monoxide anion | 2.012 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
BrO- | Bromine monoxide anion | 2.012 | 1 | 2 |
BrO | Bromine monoxide | 1.815 | 1 | 2 |
BrO+ | Bromine monoxide cation | 1.677 | 1 | 2 |
HOBr | Hypobromous acid | 1.922 | 2 | 3 |
HOBr+ | Hypobromous acid cation | 1.805 | 2 | 3 |
BrOCl | Bromine hypochlorite | 1.928 | 1 | 2 |
OBrO | Bromine dioxide radical | 1.761 | 1 | 2 |
1.761 | 1 | 3 | ||
BrOBr | Bromine oxide | 1.933 | 1 | 2 |
1.933 | 1 | 3 | ||
BrONO | Bromine nitrite | 1.907 | 1 | 2 |
BrONO2 | Bromine nitrate | 1.890 | 1 | 2 |