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18 10 26 16 45

HF/CEP-31G* for rCCl

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


Differences greater than 0.050 are in the 0.050 bin. Differences less than -0.010 are in the -0.010 bin.

histogram chart 14
histogram chart 12 histogram chart histogram chart
histogram chart 10 histogram chart histogram chart
histogram chart 8 histogram chart histogram chart histogram chart
histogram chart 6 histogram chart histogram chart histogram chart
histogram chart 4 histogram chart histogram chart histogram chart
histogram chart 2 histogram chart histogram chart histogram chart histogram chart histogram chart histogram chart
histogram chart 0 histogram chart histogram chart histogram chart histogram chart histogram chart histogram chart histogram chart histogram chart histogram chart histogram chart histogram chart
-0.010 -0.005 0.000 0.005 0.010 0.015 0.020 0.025 0.030 0.035 0.040 0.045 0.050
bond length difference calc. - exp. (Å)

  Species Name Difference (Å)
Most negative difference CH3COCl Acetyl Chloride-0.007
Most positive difference C2Cl2 dichloroacetylene0.048

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
CH3COCl Acetyl Chloride 1.798 -0.007
ClCOClCO Oxalyl chloride 1.744 0.001
CFCl3 Trichloromonofluoromethane 1.764 0.006
C3H5ClO Oxirane, (chloromethyl)- 1.798 0.006
CF3Cl Methane, chlorotrifluoro- 1.752 0.007
CH3CCl2CH3 Propane, 2,2-dichloro- 1.799 0.007
CCl4 Carbon tetrachloride 1.767 0.009
CCl2O Phosgene 1.737 0.009
C2Cl4 Tetrachloroethylene 1.718 0.010
CHCl3 Chloroform 1.762 0.012
CH2ClCHO chloroacetaldehyde 1.782 0.013
CH2Cl2 Methylene chloride 1.767 0.013
CCl2 dichloromethylene 1.711 0.013
CHClCCl2 Trichloroethylene 1.712 0.014
CH2ClCHClCH3 Propane, 1,2-dichloro- 1.793 0.014
CH3Cl Methyl chloride 1.785 0.014
CH2ClCH2Cl Ethane, 1,2-dichloro- 1.790 0.014
CH2CClCHCH2 1,3-Butadiene, 2-chloro- 1.742 0.014
CH2CHCHClCH3 1-Butene, 3-chloro- 1.813 0.014
C6H4Cl2 1,3-dichlorobenzene 1.736 0.015
CH2ClCH2CH3 Propane, 1-chloro- 1.796 0.015
CHClCHCl Ethene, 1,2-dichloro-, (Z)- 1.717 0.015
CHClCCl2 Trichloroethylene 1.714 0.016
CH2ClCHCl2 1,1,2-trichloroethane 1.776 0.018
CHClCCl2 Trichloroethylene 1.720 0.018
CH2CHCH2CH2Cl 1-Butene, 4-chloro- 1.794 0.018
C3H5Cl 1-chloro-1-propene(Z) 1.735 0.019
CH2FCl fluorochloromethane 1.762 0.020
CH3CCl3 Ethane, 1,1,1-trichloro- 1.767 0.020
CF2Cl2 difluorodichloromethane 1.744 0.021
CH3CH2Cl Ethyl chloride 1.789 0.022
CH2ClCCCl 1,3-dichloropropyne 1.779 0.022
C2H3Cl Ethene, chloro- 1.726 0.022
C6H4Cl2 1,4-dichlorobenzene 1.729 0.022
CHF2Cl difluorochloromethane 1.747 0.022
CF2CCl2 difluorodichloroethylene 1.706 0.022
CH2ClCCCl 1,3-dichloropropyne 1.638 0.023
CHClCHCl Ethene, 1,2-dichloro-, (E)- 1.718 0.024
ClCN chlorocyanogen 1.629 0.024
C3H5Cl 1-chloro-1-propene(E) 1.728 0.024
HCCCl Chloroacetylene 1.637 0.024
C2H2ClF 1-chloro-1-fluoroethylene 1.704 0.025
CH3CHClCH3 Propane, 2-chloro- 1.798 0.026
HCCl Chloromethylene 1.696 0.026
CH3CHCl2 Ethane, 1,1-dichloro- 1.766 0.027
CH2CCl2 Ethene, 1,1-dichloro- 1.710 0.029
C6H5Cl chlorobenzene 1.725 0.029
C3H5Cl3 Propane, 1,2,3-trichloro- 1.790 0.030
CH2ClCH2CH2CH3 Butane, 1-chloro- 1.780 0.032
CFCl chlorofluoromethylene 1.714 0.034
CH3CCl(CH3)CH3 Propane, 2-chloro-2-methyl- 1.803 0.036
CCl carbon monochloride 1.649 0.045
CH3CHClCH2CH3 Butane, 2-chloro- 1.781 0.047
C2Cl2 dichloroacetylene 1.612 0.048