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/SDD
5 | ||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||
2.30 | 2.40 | 2.50 | 2.60 | 2.70 | 2.80 | 2.90 | 3.00 | 3.10 | ||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
2.518 | 0.264 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | PBr3 | Phosphorus tribromide | 2.365 |
Highest value | SBr+ | Sulfur monobromide cation | 2.976 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
SBr+ | Sulfur monobromide cation | 2.976 | 1 | 2 |
PBr3 | Phosphorus tribromide | 2.365 | 1 | 2 |
2.365 | 1 | 3 | ||
2.365 | 1 | 4 |