Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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wB97X-D/3-21G
5 | |||||||||||||||||||||||||||||||
4 | |||||||||||||||||||||||||||||||
3 | |||||||||||||||||||||||||||||||
2 | |||||||||||||||||||||||||||||||
1 | |||||||||||||||||||||||||||||||
0 | |||||||||||||||||||||||||||||||
1.30 | 1.32 | 1.34 | 1.36 | 1.38 | 1.40 | 1.42 | 1.44 | 1.46 | 1.48 | ||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.356 | 0.041 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | BF3+ | boron trifluoride cation | 1.313 |
Highest value | BF3+ | boron trifluoride cation | 1.453 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
BF | Boron monofluoride | 1.314 | 1 | 2 |
BF2 | Boron difluoride radical | 1.343 | 1 | 2 |
1.343 | 1 | 3 | ||
BF3+ | boron trifluoride cation | 1.453 | 1 | 2 |
1.313 | 1 | 3 | ||
1.313 | 1 | 4 | ||
BClF2 | Chlorodifluoroborane | 1.340 | 1 | 3 |
1.340 | 1 | 4 | ||
NH3BF3 | Amminetrifluoroboron | 1.386 | 2 | 3 |
1.386 | 2 | 4 | ||
1.386 | 2 | 5 |