Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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QCISD/6-31G
5 | ||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||
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0 | ||||||||||||||||||||||||||||
1.70 | 1.80 | 1.90 | 2.00 | 2.10 | 2.20 | 2.30 | 2.40 | 2.50 | ||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.907 | 0.174 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | ClF+ | clorine monofluoride cation | 1.738 |
Highest value | ClF- | clorine monofluoride anion | 2.364 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
ClF- | clorine monofluoride anion | 2.364 | 1 | 2 |
ClF | Chlorine monofluoride | 1.797 | 1 | 2 |
ClF+ | clorine monofluoride cation | 1.738 | 1 | 2 |
ClFH+ | Chlorine fluoride, F-protonated | 1.895 | 1 | 2 |
FClH+ | Chlorine fluoride, Cl-protonated | 1.798 | 1 | 2 |
FClO | chlorosyl fluoride | 1.954 | 1 | 2 |
ClF3 | Chlorine trifluoride | 1.810 | 1 | 2 |
1.902 | 1 | 3 | ||
1.902 | 1 | 4 |