Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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CBS-Q
6 | ||||||||||||||||||||||||||||
5 | ||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||
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 |
---|---|
1.363 | 0.144 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | BF3+ | boron trifluoride cation | 1.231 |
Highest value | BF3+ | boron trifluoride cation | 1.834 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
BF | Boron monofluoride | 1.264 | 1 | 2 |
BF2 | Boron difluoride radical | 1.304 | 1 | 2 |
1.304 | 1 | 3 | ||
BF3- | Borane, trifluoro- anion | 1.412 | 1 | 2 |
1.412 | 1 | 3 | ||
1.412 | 1 | 4 | ||
BF3+ | boron trifluoride cation | 1.834 | 1 | 2 |
1.231 | 1 | 3 | ||
1.231 | 1 | 4 | ||
BClF2 | Chlorodifluoroborane | 1.301 | 1 | 3 |
1.301 | 1 | 4 | ||
NH3BF3 | Amminetrifluoroboron | 1.356 | 2 | 3 |
1.356 | 2 | 4 | ||
1.356 | 2 | 5 |