Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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HF/CEP-121G
5 | ||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||
1.78 | 1.78 | 1.79 | 1.79 | 1.80 | 1.80 | 1.81 | 1.81 | 1.82 | 1.82 | 1.83 | ||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.799 | 0.010 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | BClF2 | Chlorodifluoroborane | 1.781 |
Highest value | BCl | boron monochloride | 1.825 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
BCl | boron monochloride | 1.825 | 1 | 2 |
BHCl2 | Borane, dichloro- | 1.797 | 1 | 3 |
1.797 | 1 | 4 | ||
BCl3 | Borane, trichloro- | 1.794 | 1 | 2 |
1.794 | 1 | 3 | ||
1.794 | 1 | 4 | ||
BClF2 | Chlorodifluoroborane | 1.781 | 1 | 2 |
B2Cl4 | Diboron tetrachloride | 1.802 | 1 | 3 |
1.802 | 1 | 4 | ||
1.802 | 2 | 5 | ||
1.802 | 2 | 6 |