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

HF/cc-pVQZ

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


Values greater than 2.00 are in the 2.00 bin. Values less than 1.50 are in the 1.50 bin.

histogram chart 25 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 20 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
histogram chart 15 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
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 line line line line line line line line line line line
histogram chart 5 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 line line line line line line line line line line line
histogram chart 0 line histogram chart 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 histogram chart line line line line line line line
1.50 1.55 1.60 1.65 1.70 1.75 1.80 1.85 1.90 1.95 2.00
bond lengths (Å)

Summary: (Å)
Average bond length Standard deviation
1.741 0.077

  Species Name Bond Length (Å)
Lowest value CCl+ carbon monochloride cation 1.520
Highest value CCl2- dichloromethylene anion 1.904

Calculated Bond lengths
Click on entry for all calculated results.
Species Name Bond Length (Å) Atom1 index Atom2 index
CCl carbon monochloride 1.662 1 2
CCl+ carbon monochloride cation 1.520 1 2
HCCl Chloromethylene 1.694 1 2
CH2Cl+ chloromethyl cation 1.588 1 2
CH3Cl Methyl chloride 1.783 1 2
CH3Cl+ Methyl chloride cation 1.859 1 2
CD3Cl methyl chloride d3 1.783 1 2
ClCN chlorocyanogen 1.633 1 2
CCl2- dichloromethylene anion 1.904 1 2
    1.904 1 3
CCl2 dichloromethylene 1.702 1 2
    1.702 1 3
CFCl chlorofluoromethylene 1.735 1 3
ClCO carbonyl monochloride 1.822 1 2
COHCl Formyl chloride 1.757 1 3
CHCl2+ dichloromethyl cation 1.617 1 3
    1.617 1 4
CHFCl Chlorofluoromethyl radical 1.714 1 4
CHFCl+ Chlorofluoromethyl cation 1.604 1 4
CH2Cl2 Methylene chloride 1.766 1 4
    1.766 1 5
CH2FCl fluorochloromethane 1.771 1 3
CH2BrCl Methane, bromochloro- 1.762 1 3
C2H3Cl Ethene, chloro- 1.733 1 3
CH3CH2Cl Ethyl chloride 1.798 2 6
COFCl Carbonic chloride fluoride 1.720 1 3
Cl2CS Thiophosgene 1.718 1 3
    1.718 1 4
CFCl2 dichlorofluoromethyl radical 1.715 1 3
    1.715 1 4
CCl3- Trichloromethyl anion 1.864 1 2
    1.864 1 3
    1.864 1 4
CCl3+ Trichloromethyl cation 1.639 1 2
    1.639 1 3
    1.639 1 4
CHCl3 Chloroform 1.759 1 3
    1.759 1 4
    1.759 1 5
CHBrCl2 Methane, bromodichloro- 1.757 1 4
    1.757 1 5
CHClBr2 Methane, dibromochloro- 1.755 1 3
CHFClBr fluorochlorobromomethane 1.755 1 3
CH3CHClCH3 Propane, 2-chloro- 1.812 1 2
CH2ClCH2CH3 Propane, 1-chloro- 1.796 1 4
CCl4 Carbon tetrachloride 1.762 1 2
    1.762 1 3
    1.762 1 4
    1.762 1 5
CF2Cl2 difluorodichloromethane 1.755 1 4
    1.755 1 5
CF3Cl Methane, chlorotrifluoro- 1.751 1 2
CBrClF2 Methane, bromochlorodifluoro- 1.754 1 3
CH2ClCCCl 1,3-dichloropropyne 1.641 1 4
    1.789 3 5
CHCl2CCH 3,3-dichloropropyne 1.776 3 4
    1.776 3 5