| |
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/6-31G*
| 5 | |
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|||||||||
| 4 | |
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|||||||||
| 3 | |
|
|
|
|
|
|
|
|
|
|
|
|
|
|||||||||||
| 2 | |
|
|
|
|
|
|
|
|
|
|
|
|
|
|||||||||||
| 1 | |
|
|
|
|
|
|
|
|
|
|
|
|
||||||||||||
| 0 | |
|
|
|
|
|
|
|
|
|
|
|
|||||||||||||
| 1.71 | 1.71 | 1.72 | 1.72 | 1.73 | 1.73 | 1.74 | 1.74 | ||||||||||||||||||
| bond lengths (Å) | |||||||||||||||||||||||||
| Average bond length | Standard deviation |
|---|---|
| 1.734 | 0.007 |
| Species | Name | Bond Length (Å) | |
|---|---|---|---|
| Lowest value | BCl | boron monochloride | 1.714 |
| Highest value | B2Cl4 | Diboron tetrachloride | 1.738 |
| Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
|---|---|---|---|---|
| BCl | boron monochloride | 1.714 | 1 | 2 |
| BHCl2 | Borane, dichloro- | 1.732 | 1 | 3 |
| 1.732 | 1 | 4 | ||
| BCl3 | Borane, trichloro- | 1.735 | 1 | 2 |
| 1.735 | 1 | 3 | ||
| 1.735 | 1 | 4 | ||
| BClF2 | Chlorodifluoroborane | 1.735 | 1 | 2 |
| B2Cl4 | Diboron tetrachloride | 1.738 | 1 | 3 |
| 1.738 | 1 | 4 | ||
| 1.738 | 2 | 5 | ||
| 1.738 | 2 | 6 |