Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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AM1
5 | ||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||
1.14 | 1.16 | 1.18 | 1.20 | 1.22 | 1.24 | 1.26 | 1.28 | 1.30 | 1.32 | 1.34 | ||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.246 | 0.044 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | BF | Boron monofluoride | 1.152 |
Highest value | BF3+ | boron trifluoride cation | 1.302 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
BF | Boron monofluoride | 1.152 | 1 | 2 |
BF3- | Borane, trifluoro- anion | 1.280 | 1 | 2 |
1.280 | 1 | 3 | ||
1.280 | 1 | 4 | ||
BF3+ | boron trifluoride cation | 1.302 | 1 | 2 |
1.215 | 1 | 3 | ||
1.215 | 1 | 4 | ||
BClF2 | Chlorodifluoroborane | 1.246 | 1 | 3 |
1.246 | 1 | 4 |