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 |
B3LYPultrafine/3-21G
5 | ||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||
2.16 | 2.18 | 2.20 | 2.22 | 2.24 | 2.26 | 2.28 | 2.30 | 2.32 | ||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
2.230 | 0.052 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | Cl2+ | chlorine diatomic cation | 2.164 |
Highest value | Cl2H+ | Chlorine, protonated | 2.293 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
Cl2 | Chlorine diatomic | 2.233 | 1 | 2 |
Cl2+ | chlorine diatomic cation | 2.164 | 1 | 2 |
Cl2H+ | Chlorine, protonated | 2.293 | 1 | 2 |