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Compare Bonds

TPSSh/STO-3G 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
-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 chlorofluoromethylene0.012
Most positive difference F2CCCF2 tetrafluoroallene0.059

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
CFCl chlorofluoromethylene 1.320 0.012
C2H2ClF 1-chloro-1-fluoroethylene 1.341 0.013
CH2BrF Methane, bromofluoro- 1.375 0.017
CHFClBr fluorochlorobromomethane 1.356 0.018
CH3F Methyl fluoride 1.383 0.027
CF2CCl2 difluorodichloroethylene 1.315 0.051
CF Fluoromethylidyne 1.276 0.053
F2CCCF2 tetrafluoroallene 1.320 0.059