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Compare Bonds

B2PLYP=FULL/TZVP for rCF

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


Differences greater than 0.035 are in the 0.035 bin. Differences less than -0.025 are in the -0.025 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
-0.025 -0.020 -0.015 -0.010 -0.005 0.000 0.005 0.010 0.015 0.020 0.025 0.030 0.035
bond length difference calc. - exp. (Å)

  Species Name Difference (Å)
Most negative difference CFCl chlorofluoromethylene-0.023
Most positive difference CF3COOH trifluoroacetic acid0.015

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
CFCl chlorofluoromethylene 1.320 -0.023
CH2BrF Methane, bromofluoro- 1.375 -0.012
CHFClBr fluorochlorobromomethane 1.356 -0.008
C2H2ClF 1-chloro-1-fluoroethylene 1.341 -0.007
CF2CCl2 difluorodichloroethylene 1.315 0.000
F2CCCF2 tetrafluoroallene 1.320 0.001
CF Fluoromethylidyne 1.276 0.002
CF3COOH trifluoroacetic acid 1.325 0.003
CF3OF Trifluoromethylhypofluorite 1.319 0.005
CF3OF Trifluoromethylhypofluorite 1.319 0.006
CH3F Methyl fluoride 1.383 0.007
FCO Carbonyl fluoride 1.326 0.008
CF3COOH trifluoroacetic acid 1.325 0.015