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Compare Bonds

B2PLYP=FULL/aug-cc-pVDZ 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 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 CFCl chlorofluoromethylene-0.005
Most positive difference FCO Carbonyl fluoride0.024

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
CFCl chlorofluoromethylene 1.320 -0.005
CH2BrF Methane, bromofluoro- 1.375 0.002
C2H2ClF 1-chloro-1-fluoroethylene 1.341 0.005
CHFClBr fluorochlorobromomethane 1.356 0.006
CF2CCl2 difluorodichloroethylene 1.315 0.009
F2CCCF2 tetrafluoroallene 1.320 0.010
CF3OF Trifluoromethylhypofluorite 1.319 0.014
CF3OF Trifluoromethylhypofluorite 1.319 0.015
CF Fluoromethylidyne 1.276 0.018
CH3F Methyl fluoride 1.383 0.021
FCO Carbonyl fluoride 1.326 0.024