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 |
MP3=FULL/6-31G*
5 | ||||||||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||||||||
1.55 | 1.60 | 1.65 | 1.70 | 1.75 | 1.80 | 1.85 | 1.90 | 1.95 | 2.00 | 2.05 | 2.10 | 2.15 | ||||||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.750 | 0.113 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | BCl+ | boron monochloride cation | 1.592 |
Highest value | BCl- | boron monochloride anion | 2.102 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
BCl- | boron monochloride anion | 2.102 | 1 | 2 |
BCl | boron monochloride | 1.721 | 1 | 2 |
BCl+ | boron monochloride cation | 1.592 | 1 | 2 |
BHCl2 | Borane, dichloro- | 1.736 | 1 | 3 |
1.736 | 1 | 4 | ||
BCl3 | Borane, trichloro- | 1.738 | 1 | 2 |
1.738 | 1 | 3 | ||
1.738 | 1 | 4 | ||
B2Cl4 | Diboron tetrachloride | 1.725 | 1 | 3 |
1.725 | 1 | 4 | ||
1.725 | 2 | 5 | ||
1.725 | 2 | 6 |