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 |
MP2/6-31G(2df,p)
5 | ||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||
1.90 | 2.00 | 2.10 | 2.20 | 2.30 | 2.40 | 2.50 | 2.60 | 2.70 | ||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
2.176 | 0.233 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | Cl2+ | chlorine diatomic cation | 1.907 |
Highest value | Cl2- | chlorine diatomic anion | 2.577 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
Cl2- | chlorine diatomic anion | 2.577 | 1 | 2 |
Cl2 | Chlorine diatomic | 1.994 | 1 | 2 |
Cl2+ | chlorine diatomic cation | 1.907 | 1 | 2 |
Cl2H+ | Chlorine, protonated | 1.995 | 1 | 2 |
Cl3- | trichloride anion | 2.293 | 1 | 2 |
2.293 | 1 | 3 |