Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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mPW1PW91/6-31G*
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1.64 | 1.66 | 1.68 | 1.70 | 1.72 | 1.74 | 1.76 | 1.78 | 1.80 | 1.82 | 1.84 | 1.86 | 1.88 | ||||||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.782 | 0.082 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | BrO+ | Bromine monoxide cation | 1.647 |
Highest value | BrOCl | Bromine hypochlorite | 1.859 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
BrO- | Bromine monoxide anion | 1.846 | 1 | 2 |
BrO | Bromine monoxide | 1.742 | 1 | 2 |
BrO+ | Bromine monoxide cation | 1.647 | 1 | 2 |
HOBr | Hypobromous acid | 1.845 | 2 | 3 |
HOBr+ | Hypobromous acid cation | 1.738 | 2 | 3 |
BrOCl | Bromine hypochlorite | 1.859 | 1 | 2 |
OBrO | Bromine dioxide radical | 1.663 | 1 | 2 |
1.663 | 1 | 3 | ||
BrOBr | Bromine oxide | 1.851 | 1 | 2 |
1.851 | 1 | 3 | ||
BrONO | Bromine nitrite | 1.843 | 1 | 2 |
BrONO2 | Bromine nitrate | 1.842 | 1 | 2 |