Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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BLYP/6-31G*
5 | ||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||
1.80 | 1.85 | 1.90 | 1.95 | 2.00 | 2.05 | 2.10 | 2.15 | 2.20 | 2.25 | 2.30 | ||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
2.012 | 0.119 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | NBr | nitrogen monobromide | 1.826 |
Highest value | BrNO | Nitrosyl bromide | 2.200 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
NBr | nitrogen monobromide | 1.826 | 1 | 2 |
BrNO | Nitrosyl bromide | 2.200 | 1 | 2 |
NBr3 | Nitrogen Tribromide | 2.011 | 1 | 2 |
2.011 | 1 | 3 | ||
2.011 | 1 | 4 |