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18 10 26 16 45

QCISD/6-31G(2df,p) for rCCl

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


Differences greater than 0.140 are in the 0.140 bin. Differences less than -0.100 are in the -0.100 bin.

histogram chart 25
histogram chart 20 histogram chart
histogram chart 15 histogram chart
histogram chart 10 histogram chart histogram chart
histogram chart 5 histogram chart histogram chart
histogram chart 0 histogram chart histogram chart histogram chart histogram chart
-0.100 -0.080 -0.060 -0.040 -0.020 0.000 0.020 0.040 0.060 0.080 0.100 0.120 0.140
bond length difference calc. - exp. (Å)

  Species Name Difference (Å)
Most negative difference CHCl3 Chloroform-0.081
Most positive difference CFCl chlorofluoromethylene0.050

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
CHCl3 Chloroform 1.762 -0.081
CH3CCl2CH3 Propane, 2,2-dichloro- 1.799 -0.001
CH3Cl Methyl chloride 1.785 0.002
CH2ClCHO chloroacetaldehyde 1.782 0.003
C6H4Cl2 1,3-dichlorobenzene 1.736 0.004
CH2CClCHCH2 1,3-Butadiene, 2-chloro- 1.742 0.005
CH2Cl2 Methylene chloride 1.767 0.007
ClCOClCO Oxalyl chloride 1.744 0.008
CBrCl3 Methane, bromotrichloro- 1.765 0.008
CH2ClCCCl 1,3-dichloropropyne 1.638 0.008
CHClCHCl Ethene, 1,2-dichloro-, (Z)- 1.717 0.009
CH3CH2Cl Ethyl chloride 1.789 0.010
CF3Cl Methane, chlorotrifluoro- 1.752 0.010
HCCCl Chloroacetylene 1.637 0.011
C6H4Cl2 1,4-dichlorobenzene 1.729 0.011
ClCN chlorocyanogen 1.629 0.012
CF2CCl2 difluorodichloroethylene 1.706 0.012
C2H3Cl Ethene, chloro- 1.726 0.013
HCCl Chloromethylene 1.696 0.013
CH3CHClCH3 Propane, 2-chloro- 1.798 0.013
CCl2O Phosgene 1.737 0.014
CH3COCl Acetyl Chloride 1.798 0.014
CH2FCl fluorochloromethane 1.762 0.017
CH2CCl2 Ethene, 1,1-dichloro- 1.710 0.018
CH3CHCl2 Ethane, 1,1-dichloro- 1.766 0.018
CH2ClCCCl 1,3-dichloropropyne 1.779 0.019
CH2BrCl Methane, bromochloro- 1.755 0.020
C3H5Cl 1-chloro-1-propene(E) 1.728 0.020
C2H2ClF 1-chloro-1-fluoroethylene 1.704 0.021
CF2Cl2 difluorodichloromethane 1.744 0.021
CHFClBr fluorochlorobromomethane 1.745 0.025
C3H5Cl 1-chloro-1-propene(Z) 1.735 0.025
CHF2Cl difluorochloromethane 1.747 0.026
CBrClF2 Methane, bromochlorodifluoro- 1.736 0.031
CFCl chlorofluoromethylene 1.714 0.050