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Compare Bonds

ROHF/3-21G 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
histogram chart 0 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 FCO Carbonyl fluoride0.011
Most positive difference CF2 Difluoromethylene0.040

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
FCO Carbonyl fluoride 1.326 0.011
CF3 Trifluoromethyl radical 1.318 0.011
CF3 Trifluoromethyl radical 1.318 0.011
FCO Carbonyl fluoride 1.326 0.017
CF Fluoromethylidyne 1.276 0.036
CF2 Difluoromethylene 1.297 0.040