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Compare Bonds

PBE1PBE/6-31+G** for rCF

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


Differences greater than 0.040 are in the 0.040 bin. Differences less than -0.020 are in the -0.020 bin.

histogram chart 10
histogram chart 8
histogram chart 6
histogram chart 4 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 histogram chart histogram chart
-0.020 -0.015 -0.010 -0.005 0.000 0.005 0.010 0.015 0.020 0.025 0.030 0.035 0.040
bond length difference calc. - exp. (Å)

  Species Name Difference (Å)
Most negative difference CFCl chlorofluoromethylene-0.017
Most positive difference C4F6 perfluorobutadiene0.024

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
CFCl chlorofluoromethylene 1.320 -0.017
CH2BrF Methane, bromofluoro- 1.375 -0.013
C4F6 perfluorobutadiene 1.323 -0.013
C4F6 perfluorobutadiene 1.323 -0.011
C4F6 perfluorobutadiene 1.323 -0.009
C4F6 perfluorobutadiene 1.323 -0.009
C2H2ClF 1-chloro-1-fluoroethylene 1.341 -0.008
CHFClBr fluorochlorobromomethane 1.356 -0.006
CF2CCl2 difluorodichloroethylene 1.315 -0.002
F2CCCF2 tetrafluoroallene 1.320 -0.001
CF3COOH trifluoroacetic acid 1.325 0.002
CH3F Methyl fluoride 1.383 0.003
FCO Carbonyl fluoride 1.326 0.003
CF3OF Trifluoromethylhypofluorite 1.319 0.006
CF Fluoromethylidyne 1.276 0.006
CF3OF Trifluoromethylhypofluorite 1.319 0.006
CF3COOH trifluoroacetic acid 1.325 0.014
C4F6 perfluorobutadiene 1.323 0.019
C4F6 perfluorobutadiene 1.323 0.024