Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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LSDA/6-311G*
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1.56 | 1.58 | 1.60 | 1.62 | 1.64 | 1.66 | 1.68 | 1.70 | 1.72 | 1.74 | 1.76 | 1.78 | 1.80 | ||||||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.708 | 0.050 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | ClF+ | clorine monofluoride cation | 1.571 |
Highest value | ClO2F | Chloryl fluoride | 1.766 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
ClF | Chlorine monofluoride | 1.663 | 1 | 2 |
ClF+ | clorine monofluoride cation | 1.571 | 1 | 2 |
FClO | chlorosyl fluoride | 1.753 | 1 | 2 |
ClF3 | Chlorine trifluoride | 1.662 | 1 | 2 |
1.741 | 1 | 3 | ||
1.741 | 1 | 4 | ||
ClO2F | Chloryl fluoride | 1.766 | 1 | 2 |
ClFO3 | Perchloryl fluoride | 1.695 | 1 | 2 |
ClOF3 | Chlorine trifluoride oxide | 1.694 | 1 | 3 |
1.764 | 1 | 4 | ||
1.764 | 1 | 5 | ||
ClF5 | chlorinepentafluoride | 1.660 | 1 | 2 |
1.714 | 1 | 3 | ||
1.714 | 1 | 4 | ||
1.714 | 1 | 5 | ||
1.714 | 1 | 6 |