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Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology |
| You are here: Calculated > Geometry > Calculated geometry > One type of bond | |
MP2=FULL/cc-pV(T+d)Z
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| 1.55 | 1.60 | 1.65 | 1.70 | 1.75 | 1.80 | 1.85 | 1.90 | 1.95 | ||||||||||||||||||||
| bond lengths (Å) | ||||||||||||||||||||||||||||
| Average bond length | Standard deviation |
|---|---|
| 1.732 | 0.061 |
| Species | Name | Bond Length (Å) | |
|---|---|---|---|
| Lowest value | BCl+ | boron monochloride cation | 1.593 |
| Highest value | BCl- | boron monochloride anion | 1.889 |
| Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
|---|---|---|---|---|
| BCl- | boron monochloride anion | 1.889 | 1 | 2 |
| BCl | boron monochloride | 1.705 | 1 | 2 |
| BCl+ | boron monochloride cation | 1.593 | 1 | 2 |
| BHCl2 | Borane, dichloro- | 1.729 | 1 | 3 |
| 1.729 | 1 | 4 | ||
| BCl3 | Borane, trichloro- | 1.732 | 1 | 2 |
| 1.732 | 1 | 3 | ||
| 1.732 | 1 | 4 | ||
| B2Cl4 | Diboron tetrachloride | 1.735 | 1 | 3 |
| 1.735 | 1 | 4 | ||
| 1.735 | 2 | 5 | ||
| 1.735 | 2 | 6 |