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 |
B97D3/3-21G*
5 | ||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||
1.35 | 1.35 | 1.36 | 1.36 | 1.37 | 1.37 | 1.38 | 1.38 | 1.39 | 1.39 | 1.40 | ||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.370 | 0.017 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | BF2 | Boron difluoride radical | 1.355 |
Highest value | NH3BF3 | Amminetrifluoroboron | 1.395 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
BF2 | Boron difluoride radical | 1.355 | 1 | 2 |
1.355 | 1 | 3 | ||
BF3+ | boron trifluoride cation | 1.366 | 1 | 2 |
1.366 | 1 | 3 | ||
1.366 | 1 | 4 | ||
BClF2 | Chlorodifluoroborane | 1.355 | 1 | 3 |
1.355 | 1 | 4 | ||
NH3BF3 | Amminetrifluoroboron | 1.395 | 2 | 3 |
1.395 | 2 | 4 | ||
1.395 | 2 | 5 |