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18 10 26 16 45

CCD/6-311G** for rCF

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


Differences greater than 0.030 are in the 0.030 bin. Differences less than -0.030 are in the -0.030 bin.

histogram chart 14
histogram chart 12 histogram chart
histogram chart 10 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 0 histogram chart histogram chart histogram chart histogram chart histogram chart histogram chart
-0.030 -0.025 -0.020 -0.015 -0.010 -0.005 -0.000 0.005 0.010 0.015 0.020 0.025 0.030
bond length difference calc. - exp. (Å)

  Species Name Difference (Å)
Most negative difference CFCl chlorofluoromethylene-0.029
Most positive difference CHF3 Methane, trifluoro-0.002

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
CFCl chlorofluoromethylene 1.320 -0.029
C3F6 hexafluoropropene 1.329 -0.021
CH2BrF Methane, bromofluoro- 1.375 -0.019
CF2Cl2 difluorodichloromethane 1.345 -0.016
CHF2Cl difluorochloromethane 1.350 -0.014
C2H5F fluoroethane 1.398 -0.014
CH2FCl fluorochloromethane 1.370 -0.013
C2H2ClF 1-chloro-1-fluoroethylene 1.341 -0.013
C2H4F2 1,2-difluoroethane 1.390 -0.011
CBrClF2 Methane, bromochlorodifluoro- 1.340 -0.011
CHFClBr fluorochlorobromomethane 1.356 -0.011
CHF2CHF2 1,1,2,2-tetrafluoroethane 1.359 -0.010
F2CCCF2 tetrafluoroallene 1.320 -0.007
CH2CHF Ethene, fluoro- 1.347 -0.006
CF2CCl2 difluorodichloroethylene 1.315 -0.005
CH3F Methyl fluoride 1.383 -0.005
CH3CHF2 Ethane, 1,1-difluoro- 1.364 -0.005
CF Fluoromethylidyne 1.276 -0.005
CF3Br Bromotrifluoromethane 1.327 -0.004
C2HF3 Trifluoroethylene 1.316 -0.004
C2HF3 Trifluoroethylene 1.342 -0.004
C2H2F2 Ethene, 1,2-difluoro-, (E)- 1.344 -0.004
CF3OF Trifluoromethylhypofluorite 1.319 -0.004
CF3COOH trifluoroacetic acid 1.325 -0.003
CF3Cl Methane, chlorotrifluoro- 1.325 -0.003
CH2CHCH2F Allyl Fluoride 1.382 -0.003
CF2O Carbonic difluoride 1.312 -0.002
CH2FI fluoroiodomethane 1.362 -0.002
HFCO formyl fluoride 1.338 -0.002
FCO Carbonyl fluoride 1.326 -0.002
CF2 Difluoromethylene 1.297 -0.001
HCCF Fluoroacetylene 1.279 0.000
C2H2F2 Ethene, 1,2-difluoro-, (Z)- 1.335 0.001
CH2F2 Methane, difluoro- 1.351 0.001
CHF3 Methane, trifluoro- 1.328 0.002