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18 10 26 16 45

MP4=FULL/cc-pVTZ for rCF

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


Differences greater than 0.002 are in the 0.002 bin. Differences less than -0.022 are in the -0.022 bin.

histogram chart 10
histogram chart 8
histogram chart 6
histogram chart 4
histogram chart 2 histogram chart
histogram chart 0 histogram chart histogram chart histogram chart histogram chart histogram chart histogram chart histogram chart histogram chart histogram chart
-0.022 -0.020 -0.018 -0.016 -0.014 -0.012 -0.010 -0.008 -0.006 -0.004 -0.002 -0.000 0.002
bond length difference calc. - exp. (Å)

  Species Name Difference (Å)
Most negative difference CFCl chlorofluoromethylene-0.021
Most positive difference FCO Carbonyl fluoride0.003

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
CFCl chlorofluoromethylene 1.320 -0.021
CH2BrF Methane, bromofluoro- 1.375 -0.015
CH2FCH2CH3 1-Fluoropropane 1.401 -0.012
C2H2ClF 1-chloro-1-fluoroethylene 1.341 -0.011
CHFClBr fluorochlorobromomethane 1.356 -0.008
C2H4F2 1,2-difluoroethane 1.390 -0.007
CHF2CHF2 1,1,2,2-tetrafluoroethane 1.359 -0.007
CF2CCl2 difluorodichloroethylene 1.315 -0.003
CH3F Methyl fluoride 1.383 -0.001
CF3Br Bromotrifluoromethane 1.327 -0.000
CF Fluoromethylidyne 1.276 0.001
CH2CHCH2F Allyl Fluoride 1.382 0.001
CF3OF Trifluoromethylhypofluorite 1.319 0.002
FCO Carbonyl fluoride 1.326 0.003