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 |
MP4=FULL/6-31G*
5 | |||||||||||||||||||||||||||||||
4 | |||||||||||||||||||||||||||||||
3 | |||||||||||||||||||||||||||||||
2 | |||||||||||||||||||||||||||||||
1 | |||||||||||||||||||||||||||||||
0 | |||||||||||||||||||||||||||||||
1.72 | 1.74 | 1.76 | 1.78 | 1.80 | 1.82 | 1.84 | 1.86 | 1.88 | 1.90 | ||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.825 | 0.060 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | HOBr+ | Hypobromous acid cation | 1.739 |
Highest value | HOBr | Hypobromous acid | 1.877 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
BrO- | Bromine monoxide anion | 1.877 | 1 | 2 |
BrO | Bromine monoxide | 1.765 | 1 | 2 |
HOBr | Hypobromous acid | 1.877 | 2 | 3 |
HOBr+ | Hypobromous acid cation | 1.739 | 2 | 3 |
BrONO2 | Bromine nitrate | 1.866 | 1 | 2 |