Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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MP2=FULL/TZVP
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0 | |||||||||||||||||||||||||
1.55 | 1.60 | 1.65 | 1.70 | 1.75 | 1.80 | 1.85 | 1.90 | ||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.724 | 0.087 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | ClF+ | clorine monofluoride cation | 1.551 |
Highest value | ClO2F | Chloryl fluoride | 1.843 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
ClF | Chlorine monofluoride | 1.664 | 1 | 2 |
ClF+ | clorine monofluoride cation | 1.551 | 1 | 2 |
ClFH+ | Chlorine fluoride, F-protonated | 1.781 | 1 | 2 |
FClH+ | Chlorine fluoride, Cl-protonated | 1.614 | 1 | 2 |
FClO | chlorosyl fluoride | 1.818 | 1 | 2 |
ClF3 | Chlorine trifluoride | 1.634 | 1 | 2 |
1.752 | 1 | 3 | ||
1.752 | 1 | 4 | ||
ClO2F | Chloryl fluoride | 1.843 | 1 | 2 |
ClOF3 | Chlorine trifluoride oxide | 1.699 | 1 | 3 |
1.791 | 1 | 4 | ||
1.791 | 1 | 5 |