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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 | ![]() |
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-0.010 | 0.000 | 0.010 | 0.020 | 0.030 | 0.040 | 0.050 | 0.060 | 0.070 | 0.080 | 0.090 | 0.100 | 0.110 | ||||||||||||||||||||||||||||
bond length difference calc. - exp. (Å) |
Species | Name | Difference (Å) | |
---|---|---|---|
Most negative difference | CH2BrF | Methane, bromofluoro- | 0.041 |
Most positive difference | CF2 | Difluoromethylene | 0.095 |
Bond lengths
Click on entry for experimental details.
Species | Name | Experimental (Å) | Difference (Å) |
---|---|---|---|
CH2BrF | Methane, bromofluoro- | 1.375 | 0.041 |
C3F6 | hexafluoropropene | 1.329 | 0.042 |
CF2Cl2 | difluorodichloromethane | 1.345 | 0.044 |
CHFClBr | fluorochlorobromomethane | 1.356 | 0.046 |
CH2FCl | fluorochloromethane | 1.370 | 0.046 |
C2H2ClF | 1-chloro-1-fluoroethylene | 1.341 | 0.047 |
CFCl3 | Trichloromonofluoromethane | 1.345 | 0.047 |
CHF2Cl | difluorochloromethane | 1.350 | 0.048 |
CBrClF2 | Methane, bromochlorodifluoro- | 1.340 | 0.051 |
C6H5F | Fluorobenzene | 1.354 | 0.055 |
CFCl | chlorofluoromethylene | 1.320 | 0.055 |
C2HF3 | Trifluoroethylene | 1.342 | 0.056 |
HCCF | Fluoroacetylene | 1.279 | 0.056 |
C2F4 | Tetrafluoroethylene | 1.319 | 0.058 |
C2H2F2 | Ethene, 1,2-difluoro-, (E)- | 1.344 | 0.060 |
C2HF3 | Trifluoroethylene | 1.316 | 0.060 |
CF2CCl2 | difluorodichloroethylene | 1.315 | 0.060 |
CH2CHF | Ethene, fluoro- | 1.347 | 0.061 |
CHF2CHF2 | 1,1,2,2-tetrafluoroethane | 1.359 | 0.062 |
CF3Cl | Methane, chlorotrifluoro- | 1.325 | 0.062 |
C6F6 | hexafluorobenzene | 1.325 | 0.062 |
CF3Br | Bromotrifluoromethane | 1.327 | 0.063 |
C2H4F2 | 1,2-difluoroethane | 1.390 | 0.064 |
C2H2F2 | Ethene, 1,2-difluoro-, (Z)- | 1.335 | 0.064 |
C2H5F | fluoroethane | 1.398 | 0.065 |
F2CCCF2 | tetrafluoroallene | 1.320 | 0.065 |
FCN | Cyanogen fluoride | 1.262 | 0.066 |
CH3F | Methyl fluoride | 1.383 | 0.067 |
CF3COOH | trifluoroacetic acid | 1.325 | 0.068 |
CF3 | Trifluoromethyl radical | 1.318 | 0.069 |
CH2CF2 | Ethene, 1,1-difluoro- | 1.315 | 0.069 |
CF4 | Carbon tetrafluoride | 1.315 | 0.070 |
CH3CHF2 | Ethane, 1,1-difluoro- | 1.364 | 0.071 |
CH3CF3 | Ethane, 1,1,1-trifluoro- | 1.340 | 0.072 |
CHF3 | Methane, trifluoro- | 1.328 | 0.072 |
CH2F2 | Methane, difluoro- | 1.351 | 0.073 |
CF3OF | Trifluoromethylhypofluorite | 1.319 | 0.074 |
CF3CN | Acetonitrile, trifluoro- | 1.328 | 0.075 |
CH2CHCH2F | Allyl Fluoride | 1.382 | 0.075 |
C2F6 | hexafluoroethane | 1.320 | 0.075 |
CF2O | Carbonic difluoride | 1.312 | 0.075 |
C3F8 | perfluoropropane | 1.330 | 0.081 |
HFCO | formyl fluoride | 1.338 | 0.081 |
CF | Fluoromethylidyne | 1.276 | 0.090 |
CH3COF | Acetyl fluoride | 1.348 | 0.090 |
FCO | Carbonyl fluoride | 1.326 | 0.093 |
CF2 | Difluoromethylene | 1.297 | 0.095 |