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B2PLYP=FULL/6-31G(2df,p) for rCF

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


Differences greater than 0.025 are in the 0.025 bin. Differences less than -0.035 are in the -0.035 bin.

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

  Species Name Difference (Å)
Most negative difference CFCl chlorofluoromethylene-0.033
Most positive difference CF3COOH trifluoroacetic acid0.007

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
CFCl chlorofluoromethylene 1.320 -0.033
CH2BrF Methane, bromofluoro- 1.375 -0.024
C2H2ClF 1-chloro-1-fluoroethylene 1.341 -0.022
CHFClBr fluorochlorobromomethane 1.356 -0.018
CH3F Methyl fluoride 1.383 -0.011
CF2CCl2 difluorodichloroethylene 1.315 -0.010
FCO Carbonyl fluoride 1.326 -0.006
CF3COOH trifluoroacetic acid 1.325 -0.005
CF Fluoromethylidyne 1.276 -0.005
CF3OF Trifluoromethylhypofluorite 1.319 -0.003
CF3OF Trifluoromethylhypofluorite 1.319 -0.003
CF3COOH trifluoroacetic acid 1.325 0.007