Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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PM6
5 | ||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||
1.65 | 1.70 | 1.75 | 1.80 | 1.85 | 1.90 | 1.95 | 2.00 | 2.05 | ||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.799 | 0.127 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | FClH+ | Chlorine fluoride, Cl-protonated | 1.658 |
Highest value | ClF- | clorine monofluoride anion | 1.966 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
ClF- | clorine monofluoride anion | 1.966 | 1 | 2 |
ClFH+ | Chlorine fluoride, F-protonated | 1.772 | 1 | 2 |
FClH+ | Chlorine fluoride, Cl-protonated | 1.658 | 1 | 2 |