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Compare Bonds

MP3=FULL/6-31G* for rCF

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


Differences greater than 0.550 are in the 0.550 bin. Differences less than -0.050 are in the -0.050 bin.

histogram chart 60
histogram chart 50 histogram chart
histogram chart 40 histogram chart
histogram chart 30 histogram chart
histogram chart 20 histogram chart
histogram chart 10 histogram chart
histogram chart 0 histogram chart histogram chart histogram chart
-0.050 0.000 0.050 0.100 0.150 0.200 0.250 0.300 0.350 0.400 0.450 0.500 0.550
bond length difference calc. - exp. (Å)

  Species Name Difference (Å)
Most negative difference CFCl chlorofluoromethylene-0.018
Most positive difference CH3CF3 Ethane, 1,1,1-trifluoro-0.324

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
CFCl chlorofluoromethylene 1.320 -0.018
CH2BrF Methane, bromofluoro- 1.375 -0.013
CF2Cl2 difluorodichloromethane 1.345 -0.013
C2H5F fluoroethane 1.398 -0.012
CH2FCl fluorochloromethane 1.370 -0.010
C4F6 perfluorobutadiene 1.323 -0.008
CH2CF2 Ethene, 1,1-difluoro- 1.323 -0.008
C4F6 perfluorobutadiene 1.323 -0.007
CFCl3 Trichloromonofluoromethane 1.345 -0.007
C4F6 perfluorobutadiene 1.323 -0.006
C6H5F Fluorobenzene 1.354 -0.006
C2H4F2 1,2-difluoroethane 1.390 -0.006
CHF2Cl difluorochloromethane 1.350 -0.006
C4F6 perfluorobutadiene 1.323 -0.006
CHFClBr fluorochlorobromomethane 1.356 -0.004
C2H4F2 1,2-difluoroethane 1.390 -0.004
C2H2ClF 1-chloro-1-fluoroethylene 1.341 -0.003
CH2CHF Ethene, fluoro- 1.347 -0.000
CH3F Methyl fluoride 1.383 0.000
CF3Br Bromotrifluoromethane 1.327 0.000
CF3Br Bromotrifluoromethane 1.327 0.000
CF3OF Trifluoromethylhypofluorite 1.319 0.001
CF Fluoromethylidyne 1.276 0.002
CF3Cl Methane, chlorotrifluoro- 1.325 0.002
CF3Cl Methane, chlorotrifluoro- 1.325 0.002
C2H2F2 Ethene, 1,2-difluoro-, (E)- 1.344 0.002
F2CCCF2 tetrafluoroallene 1.320 0.002
CF2CCl2 difluorodichloroethylene 1.315 0.003
C2HF3 Trifluoroethylene 1.342 0.003
CH3F Methyl fluoride 1.383 0.003
HCF Fluoromethylene 1.305 0.004
CF2 Difluoromethylene 1.297 0.004
FCO Carbonyl fluoride 1.326 0.005
CHF3 Methane, trifluoro- 1.332 0.005
CHF3 Methane, trifluoro- 1.332 0.005
CH2F2 Methane, difluoro- 1.351 0.006
HFCO formyl fluoride 1.338 0.006
C2H2F2 Ethene, 1,2-difluoro-, (Z)- 1.335 0.007
CF4 Carbon tetrafluoride 1.315 0.007
C2HF3 Trifluoroethylene 1.316 0.008
CH3COF Acetyl fluoride 1.348 0.008
C2HF3 Trifluoroethylene 1.316 0.008
C3F8 perfluoropropane 1.330 0.008
HCCF Fluoroacetylene 1.279 0.008
CF2O Carbonic difluoride 1.312 0.009
FCN Cyanogen fluoride 1.262 0.010
CF3OF Trifluoromethylhypofluorite 1.319 0.014
C3F8 perfluoropropane 1.330 0.014
C2F6 hexafluoroethane 1.320 0.016
C2F6 hexafluoroethane 1.320 0.016
HCF Fluoromethylene 1.305 0.016
C6F6 hexafluorobenzene 1.325 0.018
C6F6 hexafluorobenzene 1.325 0.018
CF2 Difluoromethylene 1.297 0.023
C4F6 perfluorobutadiene 1.323 0.023
C4F6 perfluorobutadiene 1.323 0.024
C3F8 perfluoropropane 1.330 0.025
CF3CN Acetonitrile, trifluoro- 1.328 0.101
CF3CN Acetonitrile, trifluoro- 1.328 0.101
C2F4 Tetrafluoroethylene 1.319 0.106
CF3 Trifluoromethyl radical 1.318 0.112
CF3 Trifluoromethyl radical 1.318 0.112
CH3CHF2 Ethane, 1,1-difluoro- 1.364 0.308
CH3CF3 Ethane, 1,1,1-trifluoro- 1.340 0.324
CH3CF3 Ethane, 1,1,1-trifluoro- 1.340 0.324