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18 10 26 16 45

M06-2X/3-21G* for rCCl

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


Differences greater than 0.500 are in the 0.500 bin. Differences less than -0.700 are in the -0.700 bin.

histogram chart 60
histogram chart 50 histogram chart
histogram chart 40 histogram chart
histogram chart 30 histogram chart
histogram chart 20 histogram chart
histogram chart 10 histogram chart
histogram chart 0 histogram chart histogram chart histogram chart
-0.700 -0.600 -0.500 -0.400 -0.300 -0.200 -0.100 0.000 0.100 0.200 0.300 0.400 0.500
bond length difference calc. - exp. (Å)

  Species Name Difference (Å)
Most negative difference CH2BrCl Methane, bromochloro--0.669
Most positive difference CFCl chlorofluoromethylene0.086

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
CH2BrCl Methane, bromochloro- 1.755 -0.669
CF3Cl Methane, chlorotrifluoro- 1.752 0.004
C2Cl4 Tetrachloroethylene 1.718 0.004
CH2ClCCCl 1,3-dichloropropyne 1.638 0.005
ClCOClCO Oxalyl chloride 1.744 0.008
CHClCCl2 Trichloroethylene 1.714 0.009
ClCN chlorocyanogen 1.629 0.009
HCCCl Chloroacetylene 1.637 0.009
CHClCHCl Ethene, 1,2-dichloro-, (Z)- 1.717 0.009
CHClCCl2 Trichloroethylene 1.712 0.010
C6H4Cl2 1,3-dichlorobenzene 1.736 0.011
CF2CCl2 difluorodichloroethylene 1.706 0.012
C3H5ClO Oxirane, (chloromethyl)- 1.798 0.012
CFCl3 Trichloromonofluoromethane 1.764 0.013
CH3CCl2CH3 Propane, 2,2-dichloro- 1.799 0.013
C3H5Cl 1-chloro-1-propene(Z) 1.735 0.013
CHClCCl2 Trichloroethylene 1.720 0.014
CH2ClI chloroiodomethane 1.774 0.014
CH2ClCHClCH3 Propane, 1,2-dichloro- 1.793 0.015
CH2ClCH2Cl Ethane, 1,2-dichloro- 1.790 0.016
CH2CClCHCH2 1,3-Butadiene, 2-chloro- 1.742 0.017
CCl4 Carbon tetrachloride 1.767 0.017
C6H4Cl2 1,4-dichlorobenzene 1.729 0.018
CH2CHCHClCH3 1-Butene, 3-chloro- 1.813 0.018
CH3Cl Methyl chloride 1.785 0.018
CH2ClCHCl2 1,1,2-trichloroethane 1.776 0.019
CCl2O Phosgene 1.737 0.019
CBrCl3 Methane, bromotrichloro- 1.765 0.020
CHClCHCl Ethene, 1,2-dichloro-, (E)- 1.718 0.021
CH2CHCH2CH2Cl 1-Butene, 4-chloro- 1.794 0.021
C3H5Cl 1-chloro-1-propene(E) 1.728 0.021
CH2Cl chloromethyl radical 1.691 0.021
CHCl3 Chloroform 1.762 0.021
CH2ClCH2CH3 Propane, 1-chloro- 1.796 0.021
CH2Cl2 Methylene chloride 1.767 0.022
C2H3Cl Ethene, chloro- 1.726 0.022
CF2Cl2 difluorodichloromethane 1.744 0.024
C6H5Cl chlorobenzene 1.725 0.025
CH3CH2Cl Ethyl chloride 1.789 0.026
CH2CCl2 Ethene, 1,1-dichloro- 1.710 0.027
CH3CCl3 Ethane, 1,1,1-trichloro- 1.767 0.028
CH3COCl Acetyl Chloride 1.798 0.028
CH3CHClCH3 Propane, 2-chloro- 1.798 0.028
C3H5Cl3 Propane, 1,2,3-trichloro- 1.790 0.031
C2Cl2 dichloroacetylene 1.612 0.032
CH2ClCH2CH2CH3 Butane, 1-chloro- 1.780 0.033
CH3CCl(CH3)CH3 Propane, 2-chloro-2-methyl- 1.803 0.034
CH3CHCl2 Ethane, 1,1-dichloro- 1.766 0.035
CH2FCl fluorochloromethane 1.762 0.035
CHFClBr fluorochlorobromomethane 1.745 0.036
CHF2Cl difluorochloromethane 1.747 0.036
CBrClF2 Methane, bromochlorodifluoro- 1.736 0.036
CH2ClCCCl 1,3-dichloropropyne 1.779 0.039
CH3CHClCH2CH3 Butane, 2-chloro- 1.781 0.046
HCCl Chloromethylene 1.696 0.052
CCl2 dichloromethylene 1.711 0.057
CCl carbon monochloride 1.649 0.063
CFCl chlorofluoromethylene 1.714 0.086