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 |
B97D3/Def2TZVPP
5 | ||||||||||||||||||||||
4 | ||||||||||||||||||||||
3 | ||||||||||||||||||||||
2 | ||||||||||||||||||||||
1 | ||||||||||||||||||||||
0 | ||||||||||||||||||||||
1.55 | 1.60 | 1.65 | 1.70 | 1.75 | 1.80 | 1.85 | ||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.646 | 0.092 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | ClF+ | clorine monofluoride cation | 1.553 |
Highest value | ClFH+ | Chlorine fluoride, F-protonated | 1.794 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
ClF | Chlorine monofluoride | 1.649 | 1 | 2 |
ClF+ | clorine monofluoride cation | 1.553 | 1 | 2 |
ClFH+ | Chlorine fluoride, F-protonated | 1.794 | 1 | 2 |
FClH+ | Chlorine fluoride, Cl-protonated | 1.588 | 1 | 2 |