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 |
HF/6-311G*
14 | ||||||||||||||||||||||||||||
12 | ||||||||||||||||||||||||||||
10 | ||||||||||||||||||||||||||||
8 | ||||||||||||||||||||||||||||
6 | ||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||
1.20 | 1.30 | 1.40 | 1.50 | 1.60 | 1.70 | 1.80 | 1.90 | 2.00 | ||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.346 | 0.116 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | BF3+ | boron trifluoride cation | 1.223 |
Highest value | BF3+ | boron trifluoride cation | 1.874 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
BF | Boron monofluoride | 1.252 | 1 | 2 |
BF2 | Boron difluoride radical | 1.298 | 1 | 2 |
1.298 | 1 | 3 | ||
BHF2 | Difluoroborane | 1.303 | 1 | 3 |
1.303 | 1 | 4 | ||
BF3- | Borane, trifluoro- anion | 1.405 | 1 | 2 |
1.405 | 1 | 3 | ||
1.405 | 1 | 4 | ||
BF3 | Borane, trifluoro- | 1.297 | 1 | 2 |
1.297 | 1 | 3 | ||
1.297 | 1 | 4 | ||
BF3+ | boron trifluoride cation | 1.874 | 1 | 2 |
1.223 | 1 | 3 | ||
1.223 | 1 | 4 | ||
BClF2 | Chlorodifluoroborane | 1.296 | 1 | 3 |
1.296 | 1 | 4 | ||
BF4- | tetrafluoroboron anion | 1.394 | 1 | 2 |
1.394 | 1 | 3 | ||
1.394 | 1 | 4 | ||
1.394 | 1 | 5 | ||
NH3BF3 | Amminetrifluoroboron | 1.355 | 2 | 3 |
1.355 | 2 | 4 | ||
1.355 | 2 | 5 | ||
B2F4 | Diboron tetrafluoride | 1.308 | 1 | 3 |
1.308 | 1 | 4 | ||
1.308 | 2 | 5 | ||
1.308 | 2 | 6 |