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 |
CCD/6-311G*
5 | ||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||
1.71 | 1.72 | 1.72 | 1.73 | 1.73 | 1.74 | 1.74 | 1.75 | 1.75 | ||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.741 | 0.008 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | BCl | boron monochloride | 1.720 |
Highest value | B2Cl4 | Diboron tetrachloride | 1.745 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
BCl | boron monochloride | 1.720 | 1 | 2 |
BCl3 | Borane, trichloro- | 1.742 | 1 | 2 |
1.742 | 1 | 3 | ||
1.742 | 1 | 4 | ||
BClF2 | Chlorodifluoroborane | 1.741 | 1 | 2 |
B2Cl4 | Diboron tetrachloride | 1.745 | 1 | 3 |
1.745 | 1 | 4 | ||
1.745 | 2 | 5 | ||
1.745 | 2 | 6 |