return to home page Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
You are here: Calculated > Geometry > Calculated geometry > One type of bond

Compare Calculated Bonds for C-Cl

17 01 10 14 40

LSDA/3-21G

Histogram of Bond lengths (in Å) vs number of species


Values greater than 2.10 are in the 2.10 bin. Values less than 1.55 are in the 1.55 bin.

histogram chart 16 line line line line line line line line line line line line line line line line line line line line line line line line line line line line line line line line line line line line
histogram chart 14 line line line line line line line line line line line line line line line line histogram chart line line line line line line line line line line line line line line line line line line line
histogram chart 12 line line line line line line line line line line line line line line line line histogram chart line line line line line line line line line line line line line line line line line line line
histogram chart 10 line line line line line line line line line line line line line line line line histogram chart line line line line line histogram chart line line line line line line line line line line line line line
histogram chart 8 line line line line line line line line line line line line line line line line histogram chart line line histogram chart line line histogram chart line line line line line line line line line line line line line
histogram chart 6 line line line line line line line line line line histogram chart line line line line line histogram chart line line histogram chart line line histogram chart line line line line line line line line line line line line line
histogram chart 4 line line line line line line line line line line histogram chart line line line line line histogram chart line line histogram chart line line histogram chart line line line line line line line line line line line line line
histogram chart 2 line line line line line line line line line line histogram chart line line histogram chart line line histogram chart line line histogram chart line line histogram chart line line histogram chart line line line line line histogram chart line line line line
histogram chart 0 line histogram chart line line line line line line line line histogram chart line line histogram chart line line histogram chart line line histogram chart line line histogram chart line line histogram chart line line line line line histogram chart line line line line
1.55 1.60 1.65 1.70 1.75 1.80 1.85 1.90 1.95 2.00 2.05 2.10
bond lengths (Å)

Summary: (Å)
Average bond length Standard deviation
1.828 0.093

  Species Name Bond Length (Å)
Lowest value CCl+ carbon monochloride cation 1.560
Highest value CCl3- Trichloromethyl anion 2.025

Calculated Bond lengths
Click on entry for all calculated results.
Species Name Bond Length (Å) Atom1 index Atom2 index
CCl carbon monochloride 1.806 1 2
CCl+ carbon monochloride cation 1.560 1 2
CH3Cl Methyl chloride 1.864 1 2
ClCN chlorocyanogen 1.682 1 2
CCl2- dichloromethylene anion 1.961 1 2
    1.961 1 3
CCl2 dichloromethylene 1.865 1 2
    1.865 1 3
COHCl Formyl chloride 1.799 1 3
CH2FCl fluorochloromethane 1.896 1 3
CH2BrCl Methane, bromochloro- 1.777 1 3
CHClCH3 1-chloroethyl radical 1.709 1 3
CCl3- Trichloromethyl anion 2.025 1 2
    2.025 1 3
    2.025 1 4
CCl3 Trichloromethyl radical 1.791 1 2
    1.791 1 3
    1.791 1 4
CCl3+ Trichloromethyl cation 1.699 1 2
    1.699 1 3
    1.699 1 4
C2Cl2 dichloroacetylene 1.687 1 3
    1.687 2 4
CHBrCl2 Methane, bromodichloro- 1.775 1 4
    1.775 1 5
CH3CHFCl Ethane, 1-chloro-1-fluoro- 1.909 1 5
C3H5Cl 1-chloro-1-propene(Z) 1.814 1 4
C3H5Cl 1-chloro-1-propene(E) 1.808 1 4
CH2ClCH2CH3 Propane, 1-chloro- 1.806 1 4
CBr3Cl tribromochloromethane 1.773 1 2
CBr2Cl2 dibromodichloromethane 1.776 1 2
    1.776 1 3
CH3CCl2CH3 Propane, 2,2-dichloro- 1.866 1 2
    1.866 1 3
CH2CHCHClCH3 1-Butene, 3-chloro- 1.904 6 12
CH2CHCH2CH2Cl 1-Butene, 4-chloro- 1.883 9 12
CH2CClCH2CH3 1-Butene, 2-chloro- 1.828 10 11
CH3CClCHCH3 2-Butene, 2-chloro-, (Z)- 1.834 2 7
CH3CClCHCH3 2-Butene, 2-chloro-, (E)- 1.833 5 11
CHClCHCH2CH3 (Z)-1-Chloro-1-butene 1.809 8 9
CHClCHCH2CH3 (E)-1-Chloro-1-butene 1.809 4 5
CH3CCl(CH3)CH3 Propane, 2-chloro-2-methyl- 1.901 1 2
C3H5ClO2 Carbonochloridic acid, ethyl ester 1.939 10 11
C4H8Cl2 Butane, 1,2-dichloro- 1.878 4 14
    1.889 6 7
C4H8Cl2 Butane, 1,3-dichloro- 1.894 5 7
    1.869 11 14
C4H8Cl2 Butane, 2,3-dichloro-, (r*,s*)- 1.892 1 5
    1.892 2 6
C4H9ClO 1-Chloro-2-ethoxyethane 1.863 1 2
C5H11Cl Pentane, 1-chloro- 1.878 1 2
C6H4Cl2 1,4-dichlorobenzene 1.731 1 7
    1.731 2 8