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/6-31+G**
16 | |||||||||||||||||||||||||||||||
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10 | |||||||||||||||||||||||||||||||
8 | |||||||||||||||||||||||||||||||
6 | |||||||||||||||||||||||||||||||
4 | |||||||||||||||||||||||||||||||
2 | |||||||||||||||||||||||||||||||
0 | |||||||||||||||||||||||||||||||
1.28 | 1.30 | 1.32 | 1.34 | 1.36 | 1.38 | 1.40 | 1.42 | 1.44 | 1.46 | ||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.365 | 0.042 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | BF | Boron monofluoride | 1.291 |
Highest value | BF4- | tetrafluoroboron anion | 1.433 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
BF | Boron monofluoride | 1.291 | 1 | 2 |
BF2 | Boron difluoride radical | 1.332 | 1 | 2 |
1.332 | 1 | 3 | ||
BHF2 | Difluoroborane | 1.338 | 1 | 3 |
1.338 | 1 | 4 | ||
BF3- | Borane, trifluoro- anion | 1.418 | 1 | 2 |
1.418 | 1 | 3 | ||
1.418 | 1 | 4 | ||
BF3 | Borane, trifluoro- | 1.335 | 1 | 2 |
1.335 | 1 | 3 | ||
1.335 | 1 | 4 | ||
BF3+ | boron trifluoride cation | 1.336 | 1 | 2 |
1.336 | 1 | 3 | ||
1.336 | 1 | 4 | ||
BClF2 | Chlorodifluoroborane | 1.335 | 1 | 3 |
1.335 | 1 | 4 | ||
BF4- | tetrafluoroboron anion | 1.433 | 1 | 2 |
1.433 | 1 | 3 | ||
1.433 | 1 | 4 | ||
1.433 | 1 | 5 | ||
NH3BF3 | Amminetrifluoroboron | 1.393 | 2 | 3 |
1.393 | 2 | 4 | ||
1.393 | 2 | 5 | ||
B2F4 | Diboron tetrafluoride | 1.343 | 1 | 3 |
1.343 | 1 | 4 | ||
1.343 | 2 | 5 | ||
1.343 | 2 | 6 |