Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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0 | ||||||||||||||||||||||||||||||||||||||||
-0.030 | -0.025 | -0.020 | -0.015 | -0.010 | -0.005 | -0.000 | 0.005 | 0.010 | 0.015 | 0.020 | 0.025 | 0.030 | ||||||||||||||||||||||||||||
bond length difference calc. - exp. (Å) |
Species | Name | Difference (Å) | |
---|---|---|---|
Most negative difference | CFCl | chlorofluoromethylene | -0.030 |
Most positive difference | CF3OF | Trifluoromethylhypofluorite | 0.000 |
Bond lengths
Click on entry for experimental details.
Species | Name | Experimental (Å) | Difference (Å) |
---|---|---|---|
CFCl | chlorofluoromethylene | 1.320 | -0.030 |
C3F6 | hexafluoropropene | 1.329 | -0.027 |
CHFClBr | fluorochlorobromomethane | 1.356 | -0.022 |
C2H2ClF | 1-chloro-1-fluoroethylene | 1.341 | -0.020 |
CH2FCH2CH3 | 1-Fluoropropane | 1.401 | -0.019 |
CH3F | Methyl fluoride | 1.383 | -0.011 |
FCO | Carbonyl fluoride | 1.326 | -0.007 |
CF3OF | Trifluoromethylhypofluorite | 1.319 | 0.000 |