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Compare Bonds

ROHF/cc-pVTZ for rCF

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


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

  Species Name Difference (Å)
Most negative difference FCO Carbonyl fluoride-0.035
Most positive difference CF2 Difluoromethylene-0.002

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
FCO Carbonyl fluoride 1.326 -0.035
FCO Carbonyl fluoride 1.326 -0.032
CF3 Trifluoromethyl radical 1.318 -0.025
CF3 Trifluoromethyl radical 1.318 -0.025
CF Fluoromethylidyne 1.276 -0.022
CF2 Difluoromethylene 1.297 -0.002