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=FULL/6-31G**
6 | ||||||||||||||||||||||||||||||||||||||||
5 | ||||||||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||||||||
1.54 | 1.56 | 1.58 | 1.60 | 1.62 | 1.64 | 1.66 | 1.68 | 1.70 | 1.72 | 1.74 | 1.76 | 1.78 | ||||||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.689 | 0.054 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | ClF+ | clorine monofluoride cation | 1.555 |
Highest value | ClFH+ | Chlorine fluoride, F-protonated | 1.779 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
ClF | Chlorine monofluoride | 1.659 | 1 | 2 |
ClF+ | clorine monofluoride cation | 1.555 | 1 | 2 |
ClFH+ | Chlorine fluoride, F-protonated | 1.779 | 1 | 2 |
FClH+ | Chlorine fluoride, Cl-protonated | 1.613 | 1 | 2 |
FClO | chlorosyl fluoride | 1.752 | 1 | 2 |
ClF3 | Chlorine trifluoride | 1.635 | 1 | 2 |
1.718 | 1 | 3 | ||
1.718 | 1 | 4 | ||
ClO2F | Chloryl fluoride | 1.756 | 1 | 2 |
ClFO3 | Perchloryl fluoride | 1.680 | 1 | 2 |
ClOF3 | Chlorine trifluoride oxide | 1.671 | 1 | 3 |
1.735 | 1 | 4 | ||
1.735 | 1 | 5 | ||
ClF5 | chlorinepentafluoride | 1.642 | 1 | 2 |
1.687 | 1 | 3 | ||
1.687 | 1 | 4 | ||
1.687 | 1 | 5 | ||
1.687 | 1 | 6 |