Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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MP2/SDD
5 | |||||||||||||||||||||||||
4 | |||||||||||||||||||||||||
3 | |||||||||||||||||||||||||
2 | |||||||||||||||||||||||||
1 | |||||||||||||||||||||||||
0 | |||||||||||||||||||||||||
2.15 | 2.20 | 2.25 | 2.30 | 2.35 | 2.40 | 2.45 | 2.50 | ||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
2.365 | 0.108 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | SBr+ | Sulfur monobromide cation | 2.178 |
Highest value | PBr3 | Phosphorus tribromide | 2.428 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
SBr+ | Sulfur monobromide cation | 2.178 | 1 | 2 |
PBr3 | Phosphorus tribromide | 2.428 | 1 | 2 |
2.428 | 1 | 3 | ||
2.428 | 1 | 4 |