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Compare Calculated Bonds for C-Cl

17 01 10 14 40

wB97X-D/aug-cc-pVTZ

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


Values greater than 2.20 are in the 2.20 bin. Values less than 1.30 are in the 1.30 bin.

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1.30 1.40 1.50 1.60 1.70 1.80 1.90 2.00 2.10 2.20
bond lengths (Å)

Summary: (Å)
Average bond length Standard deviation
1.751 0.065

  Species Name Bond Length (Å)
Lowest value CHF2Cl difluorochloromethane 1.339
Highest value CCl- carbon monochloride anion 2.046

Calculated Bond lengths
Click on entry for all calculated results.
Species Name Bond Length (Å) Atom1 index Atom2 index
CCl- carbon monochloride anion 2.046 1 2
CCl carbon monochloride 1.665 1 2
CCl+ carbon monochloride cation 1.563 1 2
HCCl Chloromethylene 1.695 1 2
CH2Cl+ chloromethyl cation 1.590 1 2
CH3Cl Methyl chloride 1.786 1 2
CH3Cl+ Methyl chloride cation 1.739 1 2
CD3Cl methyl chloride d3 1.786 1 2
ClCN chlorocyanogen 1.634 1 2
CCl2- dichloromethylene anion 1.909 1 2
    1.909 1 3
CCl2 dichloromethylene 1.715 1 2
    1.715 1 3
CCl2+ dichloromethylene cation 1.657 1 2
    1.657 1 3
CFCl chlorofluoromethylene 1.752 1 3
ClCO carbonyl monochloride 1.831 1 2
HCCCl Chloroacetylene 1.641 2 3
COHCl Formyl chloride 1.771 1 3
CHCl2 dichloromethyl radical 1.703 1 3
    1.703 1 4
CHCl2+ dichloromethyl cation 1.623 1 3
    1.623 1 4
CHFCl Chlorofluoromethyl radical 1.711 1 4
CHFCl+ Chlorofluoromethyl cation 1.608 1 4
CH2Cl2 Methylene chloride 1.774 1 4
    1.774 1 5
CH2FCl fluorochloromethane 1.780 1 3
CH2BrCl Methane, bromochloro- 1.770 1 3
C2H3Cl Ethene, chloro- 1.737 1 3
CH2CH2Cl 2-chloroethyl radical 1.850 2 3
CHClCH3 1-chloroethyl radical 1.716 1 3
CH3CH2Cl Ethyl chloride 1.800 2 6
CCl2O Phosgene 1.749 2 3
    1.749 2 4
COFCl Carbonic chloride fluoride 1.734 1 3
Cl2CS Thiophosgene 1.730 1 3
    1.730 1 4
CFCl2 dichlorofluoromethyl radical 1.721 1 3
    1.721 1 4
CCl3- Trichloromethyl anion 1.798 1 2
    1.798 1 3
    1.798 1 4
CCl3 Trichloromethyl radical 1.736 1 2
    1.736 1 3
    1.736 1 4
CCl3+ Trichloromethyl cation 1.697 1 2
    1.697 1 3
    1.697 1 4
C2Cl2 dichloroacetylene 1.641 1 3
    1.641 2 4
C2Cl2+ dichloroacetylene cation 1.593 1 3
    1.593 2 4
CHCl3 Chloroform 1.769 1 3
    1.769 1 4
    1.769 1 5
CHFCl2 fluorodichloromethane 1.770 1 4
    1.770 1 5
CHF2Cl difluorochloromethane 1.339 1 5
CDCl3 trichloromethane-d 1.681 1 3
    1.681 1 4
    1.681 1 5
CHBrCl2 Methane, bromodichloro- 1.767 1 4
    1.767 1 5
CHClBr2 Methane, dibromochloro- 1.762 1 3
CHFClBr fluorochlorobromomethane 1.767 1 3
CH2CCl2 Ethene, 1,1-dichloro- 1.726 2 5
    1.726 2 6
CHClCHCl Ethene, 1,2-dichloro-, (Z)- 1.723 1 5
    1.723 2 6
CHClCHCl Ethene, 1,2-dichloro-, (E)- 1.726 1 5
    1.726 2 6
CHFCHClz (Z)-1-Chloro-2-fluoroethene 1.722 1 3
CHFCHCl (E)-1-chloro-2-fluoroethene 1.727 1 3
C2H2ClF 1-chloro-1-fluoroethylene 1.723 1 4
CH3COCl Acetyl Chloride 1.814 1 4
CH2ClCHO chloroacetaldehyde 1.788 1 3
CH3CHCl2 Ethane, 1,1-dichloro- 1.787 1 4
    1.787 1 5
CH2ClCH2Cl Ethane, 1,2-dichloro- 1.790 1 3
    1.790 2 4
CH2FCH2Cl Ethane, 1-chloro-2-fluoro- 1.790 1 3
CH3CHFCl Ethane, 1-chloro-1-fluoro- 1.788 1 5
CH2BrCH2Cl 1-bromo-2-chloroethane 1.797 2 4
C3H5Cl 1-Propene, 3-chloro- 1.784 3 4
CH2ClCH2OH 2-Chloroethanol 1.791 2 3
C3H5Cl 1-chloro-1-propene(Z) 1.759 1 4
C3H5Cl 1-chloro-1-propene(E) 1.749 1 4
CH2ClCH2OH2+ 2-chloroethanol, protonated 1.773 2 3
CH3CHClCH3 Propane, 2-chloro- 1.818 1 2
CH2ClCH2CH3 Propane, 1-chloro- 1.803 1 4
CCl4 Carbon tetrachloride 1.773 1 2
    1.773 1 3
    1.773 1 4
    1.773 1 5
CFCl3 Trichloromonofluoromethane 1.771 1 3
    1.771 1 4
    1.771 1 5
CF2Cl2 difluorodichloromethane 1.770 1 4
    1.770 1 5
CF3Cl Methane, chlorotrifluoro- 1.768 1 2
CBrCl3 Methane, bromotrichloro- 1.771 1 3
    1.771 1 4
    1.771 1 5
CBr2ClF dibromochlorofluoromethane 1.769 1 3
CBrCl2F bromodichlorofluoromethane 1.770 1 4
    1.770 1 5
CBrClF2 Methane, bromochlorodifluoro- 1.768 1 3
CBr3Cl tribromochloromethane 1.769 1 2
CBr2Cl2 dibromodichloromethane 1.770 1 2
    1.770 1 3
CHClCCl2 Trichloroethylene 1.720 1 4
    1.721 2 5
    1.720 2 6
CHCl2CHO dichloroacetaldehyde 1.776 1 4
    1.776 1 5
CH2ClCCCl 1,3-dichloropropyne 1.638 1 4
    1.802 3 5
CHCl2CCH 3,3-dichloropropyne 1.790 3 4
    1.790 3 5
SiH3CCl3 (trichloromethyl)silane 1.785 2 6
    1.785 2 7
    1.785 2 8
CH3CCl3 Ethane, 1,1,1-trichloro- 1.778 2 6
    1.778 2 7
    1.778 2 8
CH3CF2Cl 1-Chloro-1,1-Difluoroethane 1.792 1 3
CH2ClCHCl2 1,1,2-trichloroethane 1.778 1 3
    1.781 2 6
    1.774 2 7
CH3CFCl2 1,1-Dichloro-1-fluoroethane 1.786 1 4
    1.786 1 5
C3H5ClO Oxirane, (chloromethyl)- 1.787 1 2
CH2CClCHCH2 1,3-Butadiene, 2-chloro- 1.749 2 5
CH2ClCHClCH3 Propane, 1,2-dichloro- 1.798 1 2
    1.813 5 7
CH3CCl2CH3 Propane, 2,2-dichloro- 1.807 1 2
    1.807 1 3
CH2CHCHClCH3 1-Butene, 3-chloro- 1.824 6 12
CH2ClCHCHCH3 2-Butene, 1-chloro- 1.813 1 5
CH2CHCH2CH2Cl 1-Butene, 4-chloro- 1.802 9 12
CH2CClCH2CH3 1-Butene, 2-chloro- 1.756 10 11
CH3CClCHCH3 2-Butene, 2-chloro-, (Z)- 1.757 2 7
CH3CClCHCH3 2-Butene, 2-chloro-, (E)- 1.761 5 11
CHClCHCH2CH3 (Z)-1-Chloro-1-butene 1.740 8 9
CHClCHCH2CH3 (E)-1-Chloro-1-butene 1.738 4 5
CH3CHClCH2CH3 Butane, 2-chloro- 1.820 5 7
CH2ClCH2CH2CH3 Butane, 1-chloro- 1.800 1 14
CH3CCl(CH3)CH3 Propane, 2-chloro-2-methyl- 1.793 1 2
CF2CCl2 difluorodichloroethylene 1.717 2 5
    1.717 2 6
ClCOClCO Oxalyl chloride 1.751 1 5
    1.751 2 6
C2ClF3 Ethene, chlorotrifluoro- 1.706 2 6
C2Cl4 Tetrachloroethylene 1.579 1 3
    1.579 1 4
    1.579 2 5
    1.579 2 6
CFClCFCl cis-1,2-dichloro-1,2-difluoroethylene 1.704 1 5
    1.704 2 6
CFClCClF trans-1,2-dichloro-1,2-difluoroethylene 1.707 1 5
    1.707 2 6
CCl3CHO trichloroacetaldehyde 1.755 1 4
    1.780 1 5
    1.780 1 6
CF3CH2Cl 2,2,2-Trifluoroethyl chloride 1.774 1 3
CHCl2CHF2 1,1-dichloro-2,2-difluoroethane 1.774 1 5
    1.774 1 6
CH2ClCCl3 1,1,1,2-tetrachloroethane 1.776 2 3
    1.789 1 4
    1.776 1 5
    1.776 1 6
CHFClCHFCl 1,2-dichloro-1,2-difluoroethane RR 1.776 1 7
    1.776 2 8
CHFClCHClF ethane, 1,2-dichloro-1,2-difluoro- 1.780 1 7
    1.780 2 8
C3H5Cl3 Propane, 1,2,3-trichloro- 1.813 1 4
    1.790 3 5
    1.790 2 6
C3H5ClO2 Carbonochloridic acid, ethyl ester 1.792 10 11
C4H8Cl2 1,4-Dichlorobutane 1.797 2 3
    1.797 1 4
C4H8Cl2 Butane, 1,2-dichloro- 1.798 4 14
    1.816 6 7
C4H8Cl2 Butane, 1,3-dichloro- 1.818 5 7
    1.797 11 14
C4H8Cl2 Butane, 2,3-dichloro-, (r*,s*)- 1.818 1 5
    1.818 2 6
C4H9ClO 1-Chloro-2-ethoxyethane 1.792 1 2
C5H11Cl Pentane, 1-chloro- 1.800 1 2
CF3COCl trifluoroacetyl chloride 1.754 2 7
CF3CHCl2 1,1-Dichloro-2,2,2-trifluoroethane 1.768 1 4
    1.768 1 5
CF3CHFCl 1,1,1,2-tetrafluorochloroethane 1.767 1 5
C6H5Cl chlorobenzene 1.744 1 2
C2Cl6 hexachloroethane 1.774 1 3
    1.774 1 4
    1.774 1 5
    1.774 2 6
    1.774 2 7
    1.774 2 8
CF2ClCFCl2 Ethane, 1,1,2-trichloro-1,2,2-trifluoro- 1.780 1 4
    1.642 1 5
    1.755 2 6
CF2ClCF2Cl 1,2-Dichloro-1,1,2,2-tetrafluoroethane 1.769 1 3
    1.769 2 4
CF3CF2Cl pentafluorochloroethane 1.765 1 3
CF3CFCl2 1,1-Dichlorotetrafluoroethane 1.766 1 4
    1.766 1 5
C6H4Cl2 1,2-dichlorobenzene 1.732 1 7
    1.732 2 8
C6H4Cl2 1,4-dichlorobenzene 1.741 1 7
    1.741 2 8
C6H4Cl2 1,3-dichlorobenzene 1.740 4 7
    1.740 5 8
C3Cl3N3 1,3,5-Triazine, 2,4,6-trichloro- 1.718 1 7
    1.718 2 8
    1.718 3 9