Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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BLYP/cc-pCVDZ
5 | ||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||
1.70 | 1.72 | 1.74 | 1.76 | 1.78 | 1.80 | 1.82 | 1.84 | 1.86 | ||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.785 | 0.054 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | ClF | Chlorine monofluoride | 1.709 |
Highest value | ClO2F | Chloryl fluoride | 1.831 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
ClF | Chlorine monofluoride | 1.709 | 1 | 2 |
FClO | chlorosyl fluoride | 1.814 | 1 | 2 |
ClO2F | Chloryl fluoride | 1.831 | 1 | 2 |