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 |
CID/6-311G**
5 | |||||||||||||||||||||||||||||||
4 | |||||||||||||||||||||||||||||||
3 | |||||||||||||||||||||||||||||||
2 | |||||||||||||||||||||||||||||||
1 | |||||||||||||||||||||||||||||||
0 | |||||||||||||||||||||||||||||||
1.78 | 1.80 | 1.82 | 1.84 | 1.86 | 1.88 | 1.90 | 1.92 | 1.94 | 1.96 | ||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.917 | 0.039 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | BrCN | Cyanogen bromide | 1.793 |
Highest value | CBr4 | Carbon tetrabromide | 1.937 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
CH3Br | methyl bromide | 1.936 | 1 | 2 |
BrCN | Cyanogen bromide | 1.793 | 1 | 3 |
CH2Br2 | dibromomethane | 1.926 | 1 | 4 |
1.926 | 1 | 5 | ||
C2H3Br | vinyl bromide | 1.888 | 1 | 3 |
CHBr3 | bromoform | 1.927 | 1 | 3 |
1.927 | 1 | 4 | ||
1.927 | 1 | 5 | ||
CBr4 | Carbon tetrabromide | 1.937 | 1 | 2 |
1.937 | 1 | 3 | ||
1.937 | 1 | 4 | ||
1.937 | 1 | 5 |