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/cc-pVTZ
5 | ||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||
1.73 | 1.74 | 1.74 | 1.75 | 1.75 | 1.76 | 1.76 | 1.77 | 1.77 | ||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.761 | 0.008 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | BCl | boron monochloride | 1.740 |
Highest value | B2Cl4 | Diboron tetrachloride | 1.768 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
BCl | boron monochloride | 1.740 | 1 | 2 |
BHCl2 | Borane, dichloro- | 1.757 | 1 | 3 |
1.757 | 1 | 4 | ||
BCl3 | Borane, trichloro- | 1.761 | 1 | 2 |
1.761 | 1 | 3 | ||
1.761 | 1 | 4 | ||
BClF2 | Chlorodifluoroborane | 1.764 | 1 | 2 |
B2Cl4 | Diboron tetrachloride | 1.768 | 1 | 3 |
1.768 | 1 | 4 | ||
1.768 | 2 | 5 | ||
1.768 | 2 | 6 |