Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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LSDA/aug-cc-pVQZ
5 | ||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||
1.25 | 1.26 | 1.27 | 1.28 | 1.29 | 1.30 | 1.31 | 1.32 | 1.33 | ||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.303 | 0.020 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | BF | Boron monofluoride | 1.256 |
Highest value | BF3- | Borane, trifluoro- anion | 1.316 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
BF | Boron monofluoride | 1.256 | 1 | 2 |
BF3- | Borane, trifluoro- anion | 1.316 | 1 | 2 |
1.316 | 1 | 3 | ||
1.316 | 1 | 4 | ||
BF3 | Borane, trifluoro- | 1.307 | 1 | 2 |
1.307 | 1 | 3 | ||
1.307 | 1 | 4 |