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Compare Bonds

PBE1PBE/3-21G for rCF

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


Differences greater than 0.055 are in the 0.055 bin. Differences less than -0.005 are in the -0.005 bin.

histogram chart 10
histogram chart 8
histogram chart 6
histogram chart 4
histogram chart 2 histogram chart histogram chart
histogram chart 0 histogram chart histogram chart histogram chart histogram chart histogram chart histogram chart histogram chart
-0.005 0.000 0.005 0.010 0.015 0.020 0.025 0.030 0.035 0.040 0.045 0.050 0.055
bond length difference calc. - exp. (Å)

  Species Name Difference (Å)
Most negative difference C4F6 perfluorobutadiene0.014
Most positive difference CF Fluoromethylidyne0.047

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
C4F6 perfluorobutadiene 1.323 0.014
C4F6 perfluorobutadiene 1.323 0.015
C4F6 perfluorobutadiene 1.323 0.016
C4F6 perfluorobutadiene 1.323 0.018
CF3OF Trifluoromethylhypofluorite 1.319 0.025
F2CCCF2 tetrafluoroallene 1.320 0.026
CH3F Methyl fluoride 1.383 0.027
CF3OF Trifluoromethylhypofluorite 1.319 0.028
CF3COOH trifluoroacetic acid 1.325 0.030
CF3COOH trifluoroacetic acid 1.325 0.036
FCO Carbonyl fluoride 1.326 0.036
C4F6 perfluorobutadiene 1.323 0.040
C4F6 perfluorobutadiene 1.323 0.044
CF Fluoromethylidyne 1.276 0.047