Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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B3PW91/6-311G**
5 | ||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||
1.91 | 1.91 | 1.91 | 1.91 | 1.91 | 1.91 | 1.91 | 1.91 | 1.91 | ||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.906 | 0.000 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | BBr | Boron monobromide | 1.906 |
Highest value | BBr3 | Boron tribromide | 1.906 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
BBr | Boron monobromide | 1.906 | 1 | 2 |
BBr3 | Boron tribromide | 1.906 | 1 | 2 |
1.906 | 1 | 3 | ||
1.906 | 1 | 4 |