Species |
Name |
Bond Length (Å) |
Atom1 index |
Atom2 index |
CCl |
carbon monochloride |
1.786 |
1 |
2 |
CCl+ |
carbon monochloride cation |
1.616 |
1 |
2 |
HCCl |
Chloromethylene |
1.819 |
1 |
2 |
CH2Cl+ |
chloromethyl cation |
1.652 |
1 |
2 |
CH3Cl |
Methyl chloride |
1.856 |
1 |
2 |
CH3Cl+ |
Methyl chloride cation |
1.864 |
1 |
2 |
CD3Cl |
methyl chloride d3 |
1.856 |
1 |
2 |
ClCN |
chlorocyanogen |
1.691 |
1 |
2 |
CCl2- |
dichloromethylene anion |
2.043 |
1 |
2 |
|
|
2.043 |
1 |
3 |
CCl2 |
dichloromethylene |
1.835 |
1 |
2 |
|
|
1.835 |
1 |
3 |
CFCl |
chlorofluoromethylene |
1.863 |
1 |
3 |
ClCO |
carbonyl monochloride |
1.934 |
1 |
2 |
HCCCl |
Chloroacetylene |
1.701 |
2 |
3 |
COHCl |
Formyl chloride |
1.845 |
1 |
3 |
CHCl2 |
dichloromethyl radical |
1.768 |
1 |
3 |
|
|
1.768 |
1 |
4 |
CHCl2+ |
dichloromethyl cation |
1.677 |
1 |
3 |
|
|
1.677 |
1 |
4 |
CHFCl |
Chlorofluoromethyl radical |
1.781 |
1 |
4 |
CHFCl+ |
Chlorofluoromethyl cation |
1.659 |
1 |
4 |
CH2Cl2 |
Methylene chloride |
1.835 |
1 |
4 |
|
|
1.835 |
1 |
5 |
CH2FCl |
fluorochloromethane |
1.847 |
1 |
3 |
CH2BrCl |
Methane, bromochloro- |
1.835 |
1 |
3 |
C2H3Cl |
Ethene, chloro- |
1.803 |
1 |
3 |
CH2CH2Cl |
2-chloroethyl radical |
1.975 |
2 |
3 |
CHClCH3 |
1-chloroethyl radical |
1.797 |
1 |
3 |
CH3CH2Cl |
Ethyl chloride |
1.879 |
2 |
6 |
CCl2O |
Phosgene |
1.806 |
2 |
3 |
|
|
1.806 |
2 |
4 |
COFCl |
Carbonic chloride fluoride |
1.791 |
1 |
3 |
Cl2CS |
Thiophosgene |
1.793 |
1 |
3 |
|
|
1.793 |
1 |
4 |
CFCl2 |
dichlorofluoromethyl radical |
1.790 |
1 |
3 |
|
|
1.790 |
1 |
4 |
CCl3- |
Trichloromethyl anion |
2.023 |
1 |
2 |
|
|
2.023 |
1 |
3 |
|
|
2.023 |
1 |
4 |
CCl3 |
Trichloromethyl radical |
1.779 |
1 |
2 |
|
|
1.779 |
1 |
3 |
|
|
1.779 |
1 |
4 |
CCl3+ |
Trichloromethyl cation |
1.700 |
1 |
2 |
|
|
1.700 |
1 |
3 |
|
|
1.700 |
1 |
4 |
C2Cl2 |
dichloroacetylene |
1.699 |
1 |
3 |
|
|
1.699 |
2 |
4 |
CHCl3 |
Chloroform |
1.828 |
1 |
3 |
|
|
1.828 |
1 |
4 |
|
|
1.828 |
1 |
5 |
CHFCl2 |
fluorodichloromethane |
1.828 |
1 |
4 |
|
|
1.828 |
1 |
5 |
CHF2Cl |
difluorochloromethane |
1.377 |
1 |
5 |
CDCl3 |
trichloromethane-d |
1.828 |
1 |
3 |
|
|
1.828 |
1 |
4 |
|
|
1.828 |
1 |
5 |
CHBrCl2 |
Methane, bromodichloro- |
1.828 |
1 |
4 |
|
|
1.828 |
1 |
5 |
CHClBr2 |
Methane, dibromochloro- |
1.830 |
1 |
3 |
CHFClBr |
fluorochlorobromomethane |
1.829 |
1 |
3 |
CH2CCl2 |
Ethene, 1,1-dichloro- |
1.788 |
2 |
5 |
|
|
1.788 |
2 |
6 |
CHClCHCl |
Ethene, 1,2-dichloro-, (Z)- |
1.781 |
1 |
5 |
|
|
1.781 |
2 |
6 |
CHClCHCl |
Ethene, 1,2-dichloro-, (E)- |
1.794 |
1 |
5 |
|
|
1.794 |
2 |
6 |
CHFCHClz |
(Z)-1-Chloro-2-fluoroethene |
1.782 |
1 |
3 |
CHFCHCl |
(E)-1-chloro-2-fluoroethene |
1.789 |
1 |
3 |
C2H2ClF |
1-chloro-1-fluoroethylene |
1.784 |
1 |
4 |
CH3COCl |
Acetyl Chloride |
1.885 |
1 |
4 |
CH2ClCHO |
chloroacetaldehyde |
1.857 |
1 |
3 |
CH3CHCl2 |
Ethane, 1,1-dichloro- |
1.856 |
1 |
4 |
|
|
1.856 |
1 |
5 |
CH2ClCH2Cl |
Ethane, 1,2-dichloro- |
1.871 |
1 |
3 |
|
|
1.871 |
2 |
4 |
CH2FCH2Cl |
Ethane, 1-chloro-2-fluoro- |
1.863 |
1 |
3 |
CH3CHFCl |
Ethane, 1-chloro-1-fluoro- |
1.868 |
1 |
5 |
CH2BrCH2Cl |
1-bromo-2-chloroethane |
1.874 |
2 |
4 |
C3H5Cl |
1-Propene, 3-chloro- |
1.895 |
3 |
4 |
CH2ClCH2OH |
2-Chloroethanol |
1.865 |
2 |
3 |
C3H5Cl |
1-chloro-1-propene(Z) |
1.809 |
1 |
4 |
C3H5Cl |
1-chloro-1-propene(E) |
1.806 |
1 |
4 |
CH2ClCH2OH2+ |
2-chloroethanol, protonated |
1.850 |
2 |
3 |
CH3CHClCH3 |
Propane, 2-chloro- |
1.902 |
1 |
2 |
CH2ClCH2CH3 |
Propane, 1-chloro- |
1.876 |
1 |
4 |
CCl4 |
Carbon tetrachloride |
1.831 |
1 |
2 |
|
|
1.831 |
1 |
3 |
|
|
1.831 |
1 |
4 |
|
|
1.831 |
1 |
5 |
CFCl3 |
Trichloromonofluoromethane |
1.824 |
1 |
3 |
|
|
1.824 |
1 |
4 |
|
|
1.824 |
1 |
5 |
CF2Cl2 |
difluorodichloromethane |
1.819 |
1 |
4 |
|
|
1.819 |
1 |
5 |
CF3Cl |
Methane, chlorotrifluoro- |
1.810 |
1 |
2 |
CBrCl3 |
Methane, bromotrichloro- |
1.833 |
1 |
3 |
|
|
1.833 |
1 |
4 |
|
|
1.833 |
1 |
5 |
CBr2ClF |
dibromochlorofluoromethane |
1.827 |
1 |
3 |
CBrCl2F |
bromodichlorofluoromethane |
1.825 |
1 |
4 |
|
|
1.825 |
1 |
5 |
CBrClF2 |
Methane, bromochlorodifluoro- |
1.821 |
1 |
3 |
CBr3Cl |
tribromochloromethane |
1.835 |
1 |
2 |
CBr2Cl2 |
dibromodichloromethane |
1.834 |
1 |
2 |
|
|
1.834 |
1 |
3 |
CHClCCl2 |
Trichloroethylene |
1.777 |
1 |
4 |
|
|
1.786 |
2 |
5 |
|
|
1.770 |
2 |
6 |
CHCl2CHO |
dichloroacetaldehyde |
1.843 |
1 |
4 |
|
|
1.843 |
1 |
5 |
CH2ClCCCl |
1,3-dichloropropyne |
1.700 |
1 |
4 |
|
|
1.888 |
3 |
5 |
CHCl2CCH |
3,3-dichloropropyne |
1.865 |
3 |
4 |
|
|
1.865 |
3 |
5 |
SiH3CCl3 |
(trichloromethyl)silane |
1.852 |
2 |
6 |
|
|
1.852 |
2 |
7 |
|
|
1.852 |
2 |
8 |
CH3CCl3 |
Ethane, 1,1,1-trichloro- |
1.848 |
2 |
6 |
|
|
1.848 |
2 |
7 |
|
|
1.848 |
2 |
8 |
CH3CF2Cl |
1-Chloro-1,1-Difluoroethane |
1.852 |
1 |
3 |
CH2ClCHCl2 |
1,1,2-trichloroethane |
1.857 |
1 |
3 |
|
|
1.858 |
2 |
6 |
|
|
1.838 |
2 |
7 |
C3H5ClO |
Oxirane, (chloromethyl)- |
1.873 |
1 |
2 |
CH2CClCHCH2 |
1,3-Butadiene, 2-chloro- |
1.824 |
2 |
5 |
CH2ClCHClCH3 |
Propane, 1,2-dichloro- |
1.875 |
1 |
2 |
|
|
1.898 |
5 |
7 |
CH3CCl2CH3 |
Propane, 2,2-dichloro- |
1.878 |
1 |
2 |
|
|
1.878 |
1 |
3 |
CH2CHCHClCH3 |
1-Butene, 3-chloro- |
1.917 |
6 |
12 |
CH2ClCHCHCH3 |
2-Butene, 1-chloro- |
1.905 |
1 |
5 |
CH2CHCH2CH2Cl |
1-Butene, 4-chloro- |
1.880 |
9 |
12 |
CH2CClCH2CH3 |
1-Butene, 2-chloro- |
1.832 |
10 |
11 |
CH3CClCHCH3 |
2-Butene, 2-chloro-, (Z)- |
1.833 |
2 |
7 |
CH3CClCHCH3 |
2-Butene, 2-chloro-, (E)- |
1.838 |
5 |
11 |
CHClCHCH2CH3 |
(Z)-1-Chloro-1-butene |
1.808 |
8 |
9 |
CHClCHCH2CH3 |
(E)-1-Chloro-1-butene |
1.807 |
4 |
5 |
CH3CHClCH2CH3 |
Butane, 2-chloro- |
1.905 |
5 |
7 |
CH2ClCH2CH2CH3 |
Butane, 1-chloro- |
1.877 |
1 |
14 |
CH3CCl(CH3)CH3 |
Propane, 2-chloro-2-methyl- |
1.926 |
1 |
2 |
CF2CCl2 |
difluorodichloroethylene |
1.768 |
2 |
5 |
|
|
1.768 |
2 |
6 |
ClCOClCO |
Oxalyl chloride |
1.815 |
1 |
5 |
|
|
1.815 |
2 |
6 |
C2ClF3 |
Ethene, chlorotrifluoro- |
1.759 |
2 |
6 |
C2Cl4 |
Tetrachloroethylene |
1.773 |
1 |
3 |
|
|
1.773 |
1 |
4 |
|
|
1.773 |
2 |
5 |
|
|
1.773 |
2 |
6 |
CFClCFCl |
cis-1,2-dichloro-1,2-difluoroethylene |
1.759 |
1 |
5 |
|
|
1.759 |
2 |
6 |
CFClCClF |
trans-1,2-dichloro-1,2-difluoroethylene |
1.761 |
1 |
5 |
|
|
1.761 |
2 |
6 |
CCl3CHO |
trichloroacetaldehyde |
1.810 |
1 |
4 |
|
|
1.847 |
1 |
5 |
|
|
1.847 |
1 |
6 |
CF3CH2Cl |
2,2,2-Trifluoroethyl chloride |
1.838 |
1 |
3 |
CHCl2CHF2 |
1,1-dichloro-2,2-difluoroethane |
1.836 |
1 |
5 |
|
|
1.836 |
1 |
6 |
CH2ClCCl3 |
1,1,1,2-tetrachloroethane |
1.857 |
1 |
4 |
|
|
1.834 |
1 |
5 |
|
|
1.834 |
1 |
6 |
|
|
1.844 |
2 |
3 |
CHFClCHFCl |
1,2-dichloro-1,2-difluoroethane RR |
1.838 |
1 |
7 |
|
|
1.838 |
2 |
8 |
CHFClCHClF |
ethane, 1,2-dichloro-1,2-difluoro- |
1.845 |
1 |
7 |
|
|
1.845 |
2 |
8 |
C4H3ClO |
Furan, 2-chloro |
1.756 |
1 |
6 |
C3H5Cl3 |
Propane, 1,2,3-trichloro- |
1.900 |
1 |
4 |
|
|
1.863 |
2 |
6 |
|
|
1.863 |
3 |
5 |
C3H5ClO2 |
Carbonochloridic acid, ethyl ester |
1.878 |
10 |
11 |
C4H8Cl2 |
1,4-Dichlorobutane |
1.872 |
1 |
4 |
|
|
1.872 |
2 |
3 |
C4H8Cl2 |
Butane, 1,2-dichloro- |
1.875 |
4 |
14 |
|
|
1.900 |
6 |
7 |
C4H8Cl2 |
Butane, 1,3-dichloro- |
1.900 |
5 |
7 |
|
|
1.871 |
11 |
14 |
C4H8Cl2 |
Butane, 2,3-dichloro-, (r*,s*)- |
1.903 |
1 |
5 |
|
|
1.903 |
2 |
6 |
C4H9ClO |
1-Chloro-2-ethoxyethane |
1.866 |
1 |
2 |
C5H11Cl |
Pentane, 1-chloro- |
1.878 |
1 |
2 |
C6H5Cl |
chlorobenzene |
1.811 |
1 |
2 |
C2Cl6 |
hexachloroethane |
1.836 |
1 |
3 |
|
|
1.836 |
1 |
4 |
|
|
1.836 |
1 |
5 |
|
|
1.836 |
2 |
6 |
|
|
1.836 |
2 |
7 |
|
|
1.836 |
2 |
8 |
CF2ClCFCl2 |
Ethane, 1,1,2-trichloro-1,2,2-trifluoro- |
1.826 |
1 |
4 |
|
|
1.818 |
1 |
5 |
|
|
1.820 |
2 |
6 |
CF2ClCF2Cl |
1,2-Dichloro-1,1,2,2-tetrafluoroethane |
1.819 |
1 |
3 |
|
|
1.819 |
2 |
4 |
CF3CF2Cl |
pentafluorochloroethane |
1.814 |
1 |
3 |
C6H4Cl2 |
1,2-dichlorobenzene |
1.795 |
1 |
7 |
|
|
1.795 |
2 |
8 |
C6H4Cl2 |
1,4-dichlorobenzene |
1.805 |
1 |
7 |
|
|
1.805 |
2 |
8 |
C6H4Cl2 |
1,3-dichlorobenzene |
1.805 |
4 |
7 |
|
|
1.805 |
5 |
8 |
C3Cl3N3 |
1,3,5-Triazine, 2,4,6-trichloro- |
1.764 |
1 |
7 |
|
|
1.764 |
2 |
8 |
|
|
1.764 |
3 |
9 |