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Compare Bonds

TPSSh/aug-cc-pVTZ for rCF

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


Differences greater than 0.040 are in the 0.040 bin. Differences less than -0.020 are in the -0.020 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
-0.020 -0.015 -0.010 -0.005 0.000 0.005 0.010 0.015 0.020 0.025 0.030 0.035 0.040
bond length difference calc. - exp. (Å)

  Species Name Difference (Å)
Most negative difference CFCl chlorofluoromethylene-0.017
Most positive difference CF3OF Trifluoromethylhypofluorite0.010

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
CFCl chlorofluoromethylene 1.320 -0.017
CH2BrF Methane, bromofluoro- 1.375 -0.010
C2H2ClF 1-chloro-1-fluoroethylene 1.341 -0.005
CHFClBr fluorochlorobromomethane 1.356 -0.005
CF2CCl2 difluorodichloroethylene 1.315 0.002
F2CCCF2 tetrafluoroallene 1.320 0.003
CF Fluoromethylidyne 1.276 0.007
FCO Carbonyl fluoride 1.326 0.009
CF3OF Trifluoromethylhypofluorite 1.319 0.009
CH3F Methyl fluoride 1.383 0.010
CF3OF Trifluoromethylhypofluorite 1.319 0.010