Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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G3
5 | |||||||||||||||||||||||||||||||
4 | |||||||||||||||||||||||||||||||
3 | |||||||||||||||||||||||||||||||
2 | |||||||||||||||||||||||||||||||
1 | |||||||||||||||||||||||||||||||
0 | |||||||||||||||||||||||||||||||
1.18 | 1.20 | 1.22 | 1.24 | 1.26 | 1.28 | 1.30 | 1.32 | 1.34 | 1.36 | ||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.247 | 0.060 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | HBO | Boron hydride oxide | 1.185 |
Highest value | BO2 | Boron dioxide | 1.333 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
BO | boron monoxide | 1.187 | 1 | 2 |
HBO | Boron hydride oxide | 1.185 | 1 | 3 |
BO2 | Boron dioxide | 1.194 | 1 | 2 |
1.333 | 1 | 3 | ||
BO2+ | Boron dioxide cation | 1.276 | 1 | 2 |
1.276 | 1 | 3 | ||
CH3BO | Borane, methyloxo- | 1.190 | 2 | 3 |
CH2BOH | hydroxy(methylene)borane | 1.314 | 2 | 3 |
B2O3 | diboron trioxide | 1.189 | 2 | 4 |
1.189 | 3 | 5 | ||
1.313 | 1 | 2 | ||
1.313 | 1 | 3 |