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Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology |
You are here: Home > Geometry > Experimental > Same bond/angle many molecules OR Comparisons > Geometry > Bonds, angles > Same bond/angle many molecules |
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-0.022 | -0.020 | -0.018 | -0.016 | -0.014 | -0.012 | -0.010 | -0.008 | -0.006 | -0.004 | -0.002 | -0.000 | 0.002 | ||||||||||||||||||||||||||||
bond length difference calc. - exp. (Å) |
Species | Name | Difference (Å) | |
---|---|---|---|
Most negative difference | CFCl | chlorofluoromethylene | -0.021 |
Most positive difference | FCO | Carbonyl fluoride | 0.003 |
Bond lengths
Click on entry for experimental details.
Species | Name | Experimental (Å) | Difference (Å) |
---|---|---|---|
CFCl | chlorofluoromethylene | 1.320 | -0.021 |
CH2BrF | Methane, bromofluoro- | 1.375 | -0.015 |
CH2FCH2CH3 | 1-Fluoropropane | 1.401 | -0.012 |
C2H2ClF | 1-chloro-1-fluoroethylene | 1.341 | -0.011 |
CHFClBr | fluorochlorobromomethane | 1.356 | -0.008 |
C2H4F2 | 1,2-difluoroethane | 1.390 | -0.007 |
CHF2CHF2 | 1,1,2,2-tetrafluoroethane | 1.359 | -0.007 |
CF2CCl2 | difluorodichloroethylene | 1.315 | -0.003 |
CH3F | Methyl fluoride | 1.383 | -0.001 |
CF3Br | Bromotrifluoromethane | 1.327 | -0.000 |
CF | Fluoromethylidyne | 1.276 | 0.001 |
CH2CHCH2F | Allyl Fluoride | 1.382 | 0.001 |
CF3OF | Trifluoromethylhypofluorite | 1.319 | 0.002 |
FCO | Carbonyl fluoride | 1.326 | 0.003 |