return to home page 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

Compare Bonds

18 10 26 16 45

BLYP/6-31G for rCF

Histogram of Bond length differences (in Å) vs number of species


Differences greater than 0.110 are in the 0.110 bin. Differences less than -0.010 are in the -0.010 bin.

histogram chart 16
histogram chart 14 histogram chart histogram chart
histogram chart 12 histogram chart histogram chart
histogram chart 10 histogram chart histogram chart
histogram chart 8 histogram chart histogram chart
histogram chart 6 histogram chart histogram chart
histogram chart 4 histogram chart histogram chart histogram chart
histogram chart 2 histogram chart histogram chart histogram chart histogram chart histogram chart histogram chart
histogram chart 0 histogram chart histogram chart histogram chart histogram chart histogram chart histogram chart histogram chart
-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 Difluoromethylene0.095

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