Species |
Name |
Bond Length (Å) |
Atom1 index |
Atom2 index |
CCl- |
carbon monochloride anion |
2.072 |
1 |
2 |
CCl |
carbon monochloride |
1.675 |
1 |
2 |
CCl+ |
carbon monochloride cation |
1.585 |
1 |
2 |
HCCl |
Chloromethylene |
1.707 |
1 |
2 |
CH2Cl+ |
chloromethyl cation |
1.602 |
1 |
2 |
CH3Cl |
Methyl chloride |
1.803 |
1 |
2 |
CH3Cl+ |
Methyl chloride cation |
1.747 |
1 |
2 |
CD3Cl |
methyl chloride d3 |
1.798 |
1 |
2 |
ClCN |
chlorocyanogen |
1.637 |
1 |
2 |
CCl2- |
dichloromethylene anion |
1.943 |
1 |
2 |
|
|
1.943 |
1 |
3 |
CCl2 |
dichloromethylene |
1.733 |
1 |
2 |
|
|
1.733 |
1 |
3 |
CCl2+ |
dichloromethylene cation |
1.668 |
1 |
2 |
|
|
1.668 |
1 |
3 |
CFCl |
chlorofluoromethylene |
1.787 |
1 |
3 |
ClCO |
carbonyl monochloride |
1.850 |
1 |
2 |
HCCCl |
Chloroacetylene |
1.638 |
2 |
3 |
COHCl |
Formyl chloride |
1.786 |
1 |
3 |
CHCl2+ |
dichloromethyl cation |
1.633 |
1 |
3 |
|
|
1.633 |
1 |
4 |
CHFCl |
Chlorofluoromethyl radical |
1.724 |
1 |
4 |
CHFCl+ |
Chlorofluoromethyl cation |
1.617 |
1 |
4 |
CH2Cl2 |
Methylene chloride |
1.790 |
1 |
4 |
|
|
1.790 |
1 |
5 |
CH2FCl |
fluorochloromethane |
1.794 |
1 |
3 |
CH2BrCl |
Methane, bromochloro- |
1.086 |
1 |
3 |
C2H3Cl |
Ethene, chloro- |
1.744 |
1 |
3 |
CH2CH2Cl |
2-chloroethyl radical |
1.919 |
2 |
3 |
CHClCH3 |
1-chloroethyl radical |
1.726 |
1 |
3 |
CH3CH2Cl |
Ethyl chloride |
1.822 |
2 |
6 |
CCl2O |
Phosgene |
1.765 |
2 |
3 |
|
|
1.765 |
2 |
4 |
COFCl |
Carbonic chloride fluoride |
1.747 |
1 |
3 |
Cl2CS |
Thiophosgene |
1.743 |
1 |
3 |
|
|
1.743 |
1 |
4 |
CFCl2 |
dichlorofluoromethyl radical |
1.739 |
1 |
3 |
|
|
1.739 |
1 |
4 |
CCl3- |
Trichloromethyl anion |
1.825 |
1 |
2 |
|
|
1.825 |
1 |
3 |
|
|
1.825 |
1 |
4 |
CCl3 |
Trichloromethyl radical |
1.754 |
1 |
2 |
|
|
1.754 |
1 |
3 |
|
|
1.754 |
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 |
1.601 |
1 |
3 |
|
|
1.601 |
2 |
4 |
CHCl3 |
Chloroform |
1.786 |
1 |
3 |
|
|
1.786 |
1 |
4 |
|
|
1.786 |
1 |
5 |
CHFCl2 |
fluorodichloromethane |
1.784 |
1 |
4 |
|
|
1.784 |
1 |
5 |
CHF2Cl |
difluorochloromethane |
1.352 |
1 |
5 |
CDCl3 |
trichloromethane-d |
1.681 |
1 |
3 |
|
|
1.681 |
1 |
4 |
|
|
1.681 |
1 |
5 |
CHBrCl2 |
Methane, bromodichloro- |
1.779 |
1 |
4 |
|
|
1.779 |
1 |
5 |
CHClBr2 |
Methane, dibromochloro- |
1.773 |
1 |
3 |
CHFClBr |
fluorochlorobromomethane |
1.781 |
1 |
3 |
CH2CCl2 |
Ethene, 1,1-dichloro- |
1.734 |
2 |
5 |
|
|
1.734 |
2 |
6 |
CHClCHCl |
Ethene, 1,2-dichloro-, (Z)- |
1.730 |
1 |
5 |
|
|
1.730 |
2 |
6 |
CHClCHCl |
Ethene, 1,2-dichloro-, (E)- |
1.732 |
1 |
5 |
|
|
1.732 |
2 |
6 |
CHFCHClz |
(Z)-1-Chloro-2-fluoroethene |
1.729 |
1 |
3 |
CHFCHCl |
(E)-1-chloro-2-fluoroethene |
1.734 |
1 |
3 |
C2H2ClF |
1-chloro-1-fluoroethylene |
1.733 |
1 |
4 |
CH3COCl |
Acetyl Chloride |
1.839 |
1 |
4 |
CH2ClCHO |
chloroacetaldehyde |
1.805 |
1 |
3 |
CH3CHCl2 |
Ethane, 1,1-dichloro- |
1.800 |
1 |
4 |
|
|
1.800 |
1 |
5 |
CH2ClCH2Cl |
Ethane, 1,2-dichloro- |
1.816 |
1 |
3 |
|
|
1.816 |
2 |
4 |
CH3CHFCl |
Ethane, 1-chloro-1-fluoro- |
1.804 |
1 |
5 |
CH2BrCH2Cl |
1-bromo-2-chloroethane |
1.820 |
2 |
4 |
C3H5Cl |
1-Propene, 3-chloro- |
1.788 |
3 |
4 |
C3H5Cl |
1-chloro-1-propene(Z) |
1.767 |
1 |
4 |
C3H5Cl |
1-chloro-1-propene(E) |
1.759 |
1 |
4 |
CH3CHClCH3 |
Propane, 2-chloro- |
1.844 |
1 |
2 |
CH2ClCH2CH3 |
Propane, 1-chloro- |
1.825 |
1 |
4 |
CCl4 |
Carbon tetrachloride |
1.790 |
1 |
2 |
|
|
1.790 |
1 |
3 |
|
|
1.790 |
1 |
4 |
|
|
1.790 |
1 |
5 |
CFCl3 |
Trichloromonofluoromethane |
1.790 |
1 |
3 |
|
|
1.790 |
1 |
4 |
|
|
1.790 |
1 |
5 |
CF2Cl2 |
difluorodichloromethane |
1.789 |
1 |
4 |
|
|
1.789 |
1 |
5 |
CF3Cl |
Methane, chlorotrifluoro- |
1.787 |
1 |
2 |
CBrCl3 |
Methane, bromotrichloro- |
1.784 |
1 |
3 |
|
|
1.784 |
1 |
4 |
|
|
1.784 |
1 |
5 |
CBr2ClF |
dibromochlorofluoromethane |
1.779 |
1 |
3 |
CBrCl2F |
bromodichlorofluoromethane |
1.784 |
1 |
4 |
|
|
1.784 |
1 |
5 |
CBrClF2 |
Methane, bromochlorodifluoro- |
1.785 |
1 |
3 |
CBr3Cl |
tribromochloromethane |
1.775 |
1 |
2 |
CBr2Cl2 |
dibromodichloromethane |
1.779 |
1 |
2 |
|
|
1.779 |
1 |
3 |
CHClCCl2 |
Trichloroethylene |
1.727 |
1 |
4 |
|
|
1.730 |
2 |
5 |
|
|
1.729 |
2 |
6 |
CHCl2CHO |
dichloroacetaldehyde |
1.796 |
1 |
4 |
|
|
1.796 |
1 |
5 |
CH2ClCCCl |
1,3-dichloropropyne |
1.636 |
1 |
4 |
|
|
1.839 |
3 |
5 |
CHCl2CCH |
3,3-dichloropropyne |
1.817 |
3 |
4 |
|
|
1.817 |
3 |
5 |
SiH3CCl3 |
(trichloromethyl)silane |
1.801 |
2 |
6 |
|
|
1.801 |
2 |
7 |
|
|
1.801 |
2 |
8 |
CH3CCl3 |
Ethane, 1,1,1-trichloro- |
1.788 |
2 |
6 |
|
|
1.788 |
2 |
7 |
|
|
1.788 |
2 |
8 |
CH3CF2Cl |
1-Chloro-1,1-Difluoroethane |
1.809 |
1 |
3 |
CH2ClCHCl2 |
1,1,2-trichloroethane |
1.804 |
1 |
3 |
|
|
1.810 |
2 |
6 |
|
|
1.792 |
2 |
7 |
CH3CFCl2 |
1,1-Dichloro-1-fluoroethane |
1.802 |
1 |
4 |
|
|
1.802 |
1 |
5 |
C3H5ClO |
Oxirane, (chloromethyl)- |
1.799 |
1 |
2 |
CH2CClCHCH2 |
1,3-Butadiene, 2-chloro- |
1.762 |
2 |
5 |
CH2ClCHClCH3 |
Propane, 1,2-dichloro- |
1.811 |
1 |
2 |
|
|
1.829 |
5 |
7 |
CH3CCl2CH3 |
Propane, 2,2-dichloro- |
1.829 |
1 |
2 |
|
|
1.829 |
1 |
3 |
CH2CHCHClCH3 |
1-Butene, 3-chloro- |
1.842 |
6 |
12 |
CH2ClCHCHCH3 |
2-Butene, 1-chloro- |
1.806 |
1 |
5 |
CH2CHCH2CH2Cl |
1-Butene, 4-chloro- |
1.814 |
9 |
12 |
CH2CClCH2CH3 |
1-Butene, 2-chloro- |
1.766 |
10 |
11 |
CH3CClCHCH3 |
2-Butene, 2-chloro-, (Z)- |
1.766 |
2 |
7 |
CH3CClCHCH3 |
2-Butene, 2-chloro-, (E)- |
1.770 |
5 |
11 |
CHClCHCH2CH3 |
(Z)-1-Chloro-1-butene |
1.746 |
8 |
9 |
CHClCHCH2CH3 |
(E)-1-Chloro-1-butene |
1.745 |
4 |
5 |
CH3CHClCH2CH3 |
Butane, 2-chloro- |
1.834 |
5 |
7 |
CH2ClCH2CH2CH3 |
Butane, 1-chloro- |
1.814 |
1 |
14 |
CH3CCl(CH3)CH3 |
Propane, 2-chloro-2-methyl- |
1.798 |
1 |
2 |
ClCOClCO |
Oxalyl chloride |
1.778 |
1 |
5 |
|
|
1.778 |
2 |
6 |
C2ClF3 |
Ethene, chlorotrifluoro- |
1.714 |
2 |
6 |
C2Cl4 |
Tetrachloroethylene |
1.579 |
1 |
3 |
|
|
1.579 |
1 |
4 |
|
|
1.579 |
2 |
5 |
|
|
1.579 |
2 |
6 |
CCl3CHO |
trichloroacetaldehyde |
1.768 |
1 |
4 |
|
|
1.797 |
1 |
5 |
|
|
1.797 |
1 |
6 |
CF3CH2Cl |
2,2,2-Trifluoroethyl chloride |
1.786 |
1 |
3 |
CH2ClCCl3 |
1,1,1,2-tetrachloroethane |
1.813 |
1 |
4 |
|
|
1.791 |
1 |
5 |
|
|
1.791 |
1 |
6 |
|
|
1.791 |
2 |
3 |
C3H5Cl3 |
Propane, 1,2,3-trichloro- |
1.829 |
1 |
4 |
|
|
1.802 |
2 |
6 |
|
|
1.802 |
3 |
5 |
C3H5ClO2 |
Carbonochloridic acid, ethyl ester |
1.815 |
10 |
11 |
C4H8Cl2 |
1,4-Dichlorobutane |
1.811 |
1 |
4 |
|
|
1.811 |
2 |
3 |
C4H8Cl2 |
Butane, 1,2-dichloro- |
1.811 |
4 |
14 |
|
|
1.830 |
6 |
7 |
C4H8Cl2 |
Butane, 1,3-dichloro- |
1.832 |
5 |
7 |
|
|
1.810 |
11 |
14 |
C4H8Cl2 |
Butane, 2,3-dichloro-, (r*,s*)- |
1.833 |
1 |
5 |
|
|
1.833 |
2 |
6 |
C4H9ClO |
1-Chloro-2-ethoxyethane |
1.804 |
1 |
2 |
C5H11Cl |
Pentane, 1-chloro- |
1.814 |
1 |
2 |
CF3COCl |
trifluoroacetyl chloride |
1.769 |
2 |
7 |
CF3CHCl2 |
1,1-Dichloro-2,2,2-trifluoroethane |
1.781 |
1 |
4 |
|
|
1.781 |
1 |
5 |
CF3CHFCl |
1,1,1,2-tetrafluorochloroethane |
1.781 |
1 |
5 |
C6H5Cl |
chlorobenzene |
1.752 |
1 |
2 |
C2Cl6 |
hexachloroethane |
1.789 |
1 |
3 |
|
|
1.789 |
1 |
4 |
|
|
1.789 |
1 |
5 |
|
|
1.789 |
2 |
6 |
|
|
1.789 |
2 |
7 |
|
|
1.789 |
2 |
8 |
CF2ClCFCl2 |
Ethane, 1,1,2-trichloro-1,2,2-trifluoro- |
1.790 |
1 |
4 |
|
|
1.634 |
1 |
5 |
|
|
1.764 |
2 |
6 |
CF2ClCF2Cl |
1,2-Dichloro-1,1,2,2-tetrafluoroethane |
1.784 |
1 |
3 |
|
|
1.784 |
2 |
4 |
CF3CF2Cl |
pentafluorochloroethane |
1.779 |
1 |
3 |
CF3CFCl2 |
1,1-Dichlorotetrafluoroethane |
1.780 |
1 |
4 |
|
|
1.780 |
1 |
5 |
C6H4Cl2 |
1,4-dichlorobenzene |
1.750 |
1 |
7 |
|
|
1.750 |
2 |
8 |
C6H4Cl2 |
1,3-dichlorobenzene |
1.749 |
4 |
7 |
|
|
1.749 |
5 |
8 |
C3Cl3N3 |
1,3,5-Triazine, 2,4,6-trichloro- |
1.728 |
1 |
7 |
|
|
1.728 |
2 |
8 |
|
|
1.728 |
3 |
9 |