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Compare Bonds

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 25
histogram chart 20 histogram chart
histogram chart 15 histogram chart histogram chart
histogram chart 10 histogram chart histogram chart
histogram chart 5 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
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
C4F6 perfluorobutadiene 1.323 0.047
CFCl3 Trichloromonofluoromethane 1.345 0.047
CHF2Cl difluorochloromethane 1.350 0.048
C4F6 perfluorobutadiene 1.323 0.050
C4F6 perfluorobutadiene 1.323 0.051
C4F6 perfluorobutadiene 1.323 0.054
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
CH2CF2 Ethene, 1,1-difluoro- 1.323 0.061
CH2CHF Ethene, fluoro- 1.347 0.061
CF3Cl Methane, chlorotrifluoro- 1.325 0.062
CF3Cl Methane, chlorotrifluoro- 1.325 0.062
C6F6 hexafluorobenzene 1.325 0.062
C6F6 hexafluorobenzene 1.325 0.062
CF3Br Bromotrifluoromethane 1.327 0.063
CF3Br Bromotrifluoromethane 1.327 0.063
C3F8 perfluoropropane 1.330 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
C2HF3 Trifluoroethylene 1.316 0.066
CH3F Methyl fluoride 1.383 0.066
FCN Cyanogen fluoride 1.262 0.066
C3F8 perfluoropropane 1.330 0.067
CH3F Methyl fluoride 1.383 0.067
CF3OF Trifluoromethylhypofluorite 1.319 0.068
C2H4F2 1,2-difluoroethane 1.390 0.068
CF3COOH trifluoroacetic acid 1.325 0.068
CHF3 Methane, trifluoro- 1.332 0.069
CHF3 Methane, trifluoro- 1.332 0.069
CF3 Trifluoromethyl radical 1.318 0.069
CF3 Trifluoromethyl radical 1.318 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
CH3CF3 Ethane, 1,1,1-trifluoro- 1.340 0.072
CH2F2 Methane, difluoro- 1.351 0.073
CF3OF Trifluoromethylhypofluorite 1.319 0.074
CF3CN Acetonitrile, trifluoro- 1.328 0.075
CF3CN Acetonitrile, trifluoro- 1.328 0.075
C2F6 hexafluoroethane 1.320 0.075
C2F6 hexafluoroethane 1.320 0.075
HCF Fluoromethylene 1.305 0.075
CF2O Carbonic difluoride 1.312 0.075
CF3COOH trifluoroacetic acid 1.325 0.078
C3F8 perfluoropropane 1.330 0.081
C4F6 perfluorobutadiene 1.323 0.081
HFCO formyl fluoride 1.338 0.081
C4F6 perfluorobutadiene 1.323 0.084
CF2 Difluoromethylene 1.297 0.089
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