Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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HF/CEP-31G
12 | |||||||||||||||||||||||||||||||
10 | |||||||||||||||||||||||||||||||
8 | |||||||||||||||||||||||||||||||
6 | |||||||||||||||||||||||||||||||
4 | |||||||||||||||||||||||||||||||
2 | |||||||||||||||||||||||||||||||
0 | |||||||||||||||||||||||||||||||
1.00 | 2.00 | 3.00 | 4.00 | 5.00 | 6.00 | 7.00 | 8.00 | 9.00 | 10.00 | ||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
2.393 | 1.696 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | HOBr+ | Hypobromous acid cation | 1.761 |
Highest value | BrO | Bromine monoxide | 8.011 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
BrO- | Bromine monoxide anion | 2.038 | 1 | 2 |
BrO | Bromine monoxide | 8.011 | 1 | 2 |
BrO+ | Bromine monoxide cation | 2.007 | 1 | 2 |
HOBr | Hypobromous acid | 1.881 | 2 | 3 |
HOBr+ | Hypobromous acid cation | 1.761 | 2 | 3 |
BrOCl | Bromine hypochlorite | 1.887 | 1 | 2 |
OBrO | Bromine dioxide radical | 1.798 | 1 | 2 |
1.798 | 1 | 3 | ||
BrOBr | Bromine oxide | 1.884 | 1 | 2 |
1.884 | 1 | 3 | ||
BrONO | Bromine nitrite | 1.874 | 1 | 2 |
BrONO2 | Bromine nitrate | 1.889 | 1 | 2 |