Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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CCSD(T)/6-31G**
5 | |||||||||||||||||||||||||||||||
4 | |||||||||||||||||||||||||||||||
3 | |||||||||||||||||||||||||||||||
2 | |||||||||||||||||||||||||||||||
1 | |||||||||||||||||||||||||||||||
0 | |||||||||||||||||||||||||||||||
1.73 | 1.73 | 1.73 | 1.73 | 1.74 | 1.74 | 1.74 | 1.74 | 1.74 | 1.75 | ||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.740 | 0.005 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | BCl | boron monochloride | 1.729 |
Highest value | BCl3 | Borane, trichloro- | 1.744 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
BCl | boron monochloride | 1.729 | 1 | 2 |
BHCl2 | Borane, dichloro- | 1.740 | 1 | 3 |
1.740 | 1 | 4 | ||
BCl3 | Borane, trichloro- | 1.744 | 1 | 2 |
1.744 | 1 | 3 | ||
1.744 | 1 | 4 | ||
BClF2 | Chlorodifluoroborane | 1.742 | 1 | 2 |