Species |
Name |
Bond Length (Å) |
Atom1 index |
Atom2 index |
CCl- |
carbon monochloride anion |
1.887 |
1 |
2 |
CCl |
carbon monochloride |
1.655 |
1 |
2 |
CCl+ |
carbon monochloride cation |
1.539 |
1 |
2 |
HCCl |
Chloromethylene |
1.692 |
1 |
2 |
CH2Cl+ |
chloromethyl cation |
1.590 |
1 |
2 |
CH3Cl |
Methyl chloride |
1.779 |
1 |
2 |
CH3Cl+ |
Methyl chloride cation |
1.728 |
1 |
2 |
CD3Cl |
methyl chloride d3 |
1.779 |
1 |
2 |
ClCN |
chlorocyanogen |
1.626 |
1 |
2 |
CCl2 |
dichloromethylene |
1.717 |
1 |
2 |
|
|
1.717 |
1 |
3 |
CCl2+ |
dichloromethylene cation |
1.588 |
1 |
2 |
|
|
1.588 |
1 |
3 |
CFCl |
chlorofluoromethylene |
1.749 |
1 |
3 |
ClCO |
carbonyl monochloride |
1.781 |
1 |
2 |
HCCCl |
Chloroacetylene |
1.632 |
2 |
3 |
CHCl2 |
dichloromethyl radical |
1.697 |
1 |
3 |
|
|
1.697 |
1 |
4 |
CHCl2+ |
dichloromethyl cation |
1.621 |
1 |
3 |
|
|
1.621 |
1 |
4 |
CHFCl |
Chlorofluoromethyl radical |
1.706 |
1 |
4 |
CHFCl+ |
Chlorofluoromethyl cation |
1.605 |
1 |
4 |
CH2Cl2 |
Methylene chloride |
1.768 |
1 |
4 |
|
|
1.768 |
1 |
5 |
CH2FCl |
fluorochloromethane |
1.775 |
1 |
3 |
CH2BrCl |
Methane, bromochloro- |
1.762 |
1 |
3 |
C2H3Cl |
Ethene, chloro- |
1.728 |
1 |
3 |
CH2CH2Cl |
2-chloroethyl radical |
1.843 |
2 |
3 |
CHClCH3 |
1-chloroethyl radical |
1.711 |
1 |
3 |
CH3CH2Cl |
Ethyl chloride |
1.795 |
2 |
6 |
CCl2O |
Phosgene |
1.742 |
2 |
3 |
|
|
1.742 |
2 |
4 |
Cl2CS |
Thiophosgene |
1.726 |
1 |
3 |
|
|
1.726 |
1 |
4 |
CFCl2 |
dichlorofluoromethyl radical |
1.716 |
1 |
3 |
|
|
1.716 |
1 |
4 |
CCl3- |
Trichloromethyl anion |
1.892 |
1 |
2 |
|
|
1.892 |
1 |
3 |
|
|
1.892 |
1 |
4 |
CCl3 |
Trichloromethyl radical |
1.707 |
1 |
2 |
|
|
1.707 |
1 |
3 |
|
|
1.707 |
1 |
4 |
CCl3+ |
Trichloromethyl cation |
1.645 |
1 |
2 |
|
|
1.645 |
1 |
3 |
|
|
1.645 |
1 |
4 |
C2Cl2 |
dichloroacetylene |
1.631 |
1 |
3 |
|
|
1.631 |
2 |
4 |
C2Cl2+ |
dichloroacetylene cation |
1.575 |
1 |
3 |
|
|
1.575 |
2 |
4 |
CHCl3 |
Chloroform |
1.764 |
1 |
3 |
|
|
1.764 |
1 |
4 |
|
|
1.764 |
1 |
5 |
CHFCl2 |
fluorodichloromethane |
1.765 |
1 |
4 |
|
|
1.765 |
1 |
5 |
CHF2Cl |
difluorochloromethane |
1.334 |
1 |
5 |
CDCl3 |
trichloromethane-d |
1.764 |
1 |
3 |
|
|
1.764 |
1 |
4 |
|
|
1.764 |
1 |
5 |
CHBrCl2 |
Methane, bromodichloro- |
1.760 |
1 |
4 |
|
|
1.760 |
1 |
5 |
CHFClBr |
fluorochlorobromomethane |
1.759 |
1 |
3 |
CH2CCl2 |
Ethene, 1,1-dichloro- |
1.722 |
2 |
5 |
|
|
1.722 |
2 |
6 |
CHClCHCl |
Ethene, 1,2-dichloro-, (Z)- |
1.711 |
1 |
5 |
|
|
1.711 |
2 |
6 |
CHClCHCl |
Ethene, 1,2-dichloro-, (E)- |
1.721 |
1 |
5 |
|
|
1.721 |
2 |
6 |
CHFCHClz |
(Z)-1-Chloro-2-fluoroethene |
1.714 |
1 |
3 |
CHFCHCl |
(E)-1-chloro-2-fluoroethene |
1.719 |
1 |
3 |
C2H2ClF |
1-chloro-1-fluoroethylene |
1.716 |
1 |
4 |
CH3COCl |
Acetyl Chloride |
1.804 |
1 |
4 |
CH2ClCHO |
chloroacetaldehyde |
1.779 |
1 |
3 |
CH3CHCl2 |
Ethane, 1,1-dichloro- |
1.783 |
1 |
4 |
|
|
1.783 |
1 |
5 |
CH2ClCH2Cl |
Ethane, 1,2-dichloro- |
1.789 |
1 |
3 |
|
|
1.789 |
2 |
4 |
CH2FCH2Cl |
Ethane, 1-chloro-2-fluoro- |
1.783 |
1 |
3 |
CH3CHFCl |
Ethane, 1-chloro-1-fluoro- |
1.791 |
1 |
5 |
CH2BrCH2Cl |
1-bromo-2-chloroethane |
1.792 |
2 |
4 |
C3H5Cl |
1-Propene, 3-chloro- |
1.784 |
3 |
4 |
CH2ClCH2OH |
2-Chloroethanol |
1.784 |
2 |
3 |
C3H5Cl |
1-chloro-1-propene(Z) |
1.733 |
1 |
4 |
C3H5Cl |
1-chloro-1-propene(E) |
1.731 |
1 |
4 |
CH2ClCH2OH2+ |
2-chloroethanol, protonated |
1.768 |
2 |
3 |
CH3CHClCH3 |
Propane, 2-chloro- |
1.812 |
1 |
2 |
CH2ClCH2CH3 |
Propane, 1-chloro- |
1.793 |
1 |
4 |
CCl4 |
Carbon tetrachloride |
1.768 |
1 |
2 |
|
|
1.768 |
1 |
3 |
|
|
1.768 |
1 |
4 |
|
|
1.768 |
1 |
5 |
CFCl3 |
Trichloromonofluoromethane |
1.766 |
1 |
3 |
|
|
1.766 |
1 |
4 |
|
|
1.766 |
1 |
5 |
CF2Cl2 |
difluorodichloromethane |
1.764 |
1 |
4 |
|
|
1.764 |
1 |
5 |
CF3Cl |
Methane, chlorotrifluoro- |
1.761 |
1 |
2 |
CBrCl3 |
Methane, bromotrichloro- |
1.765 |
1 |
3 |
|
|
1.765 |
1 |
4 |
|
|
1.765 |
1 |
5 |
CBr2ClF |
dibromochlorofluoromethane |
1.759 |
1 |
3 |
CBrCl2F |
bromodichlorofluoromethane |
1.762 |
1 |
4 |
|
|
1.762 |
1 |
5 |
CBr3Cl |
tribromochloromethane |
1.759 |
1 |
2 |
CBr2Cl2 |
dibromodichloromethane |
1.762 |
1 |
2 |
|
|
1.762 |
1 |
3 |
CHClCCl2 |
Trichloroethylene |
1.708 |
1 |
4 |
|
|
1.720 |
2 |
5 |
|
|
1.707 |
2 |
6 |
CHCl2CHO |
dichloroacetaldehyde |
1.772 |
1 |
4 |
|
|
1.772 |
1 |
5 |
CH2ClCCCl |
1,3-dichloropropyne |
1.631 |
1 |
4 |
|
|
1.800 |
3 |
5 |
CHCl2CCH |
3,3-dichloropropyne |
1.786 |
3 |
4 |
|
|
1.786 |
3 |
5 |
SiH3CCl3 |
(trichloromethyl)silane |
1.780 |
2 |
6 |
|
|
1.780 |
2 |
7 |
|
|
1.780 |
2 |
8 |
CH3CCl3 |
Ethane, 1,1,1-trichloro- |
1.781 |
2 |
6 |
|
|
1.781 |
2 |
7 |
|
|
1.781 |
2 |
8 |
CH3CF2Cl |
1-Chloro-1,1-Difluoroethane |
1.790 |
1 |
3 |
CH2ClCHCl2 |
1,1,2-trichloroethane |
1.779 |
1 |
3 |
|
|
1.782 |
2 |
6 |
|
|
1.771 |
2 |
7 |
C3H5ClO |
Oxirane, (chloromethyl)- |
1.790 |
1 |
2 |
CH2CClCHCH2 |
1,3-Butadiene, 2-chloro- |
1.741 |
2 |
5 |
CH2ClCHClCH3 |
Propane, 1,2-dichloro- |
1.774 |
1 |
2 |
|
|
1.779 |
5 |
7 |
CH3CCl2CH3 |
Propane, 2,2-dichloro- |
1.801 |
1 |
2 |
|
|
1.801 |
1 |
3 |
CH2CHCHClCH3 |
1-Butene, 3-chloro- |
1.791 |
6 |
12 |
CH2ClCHCHCH3 |
2-Butene, 1-chloro- |
1.809 |
1 |
5 |
CH2CHCH2CH2Cl |
1-Butene, 4-chloro- |
1.777 |
9 |
12 |
CH2CClCH2CH3 |
1-Butene, 2-chloro- |
1.697 |
10 |
11 |
CH3CClCHCH3 |
2-Butene, 2-chloro-, (Z)- |
1.699 |
2 |
7 |
CH3CClCHCH3 |
2-Butene, 2-chloro-, (E)- |
1.677 |
5 |
11 |
CHClCHCH2CH3 |
(Z)-1-Chloro-1-butene |
1.694 |
8 |
9 |
CHClCHCH2CH3 |
(E)-1-Chloro-1-butene |
1.741 |
4 |
5 |
CH3CHClCH2CH3 |
Butane, 2-chloro- |
1.784 |
5 |
7 |
CH2ClCH2CH2CH3 |
Butane, 1-chloro- |
1.778 |
1 |
14 |
CH3CCl(CH3)CH3 |
Propane, 2-chloro-2-methyl- |
1.831 |
1 |
2 |
CF2CCl2 |
difluorodichloroethylene |
1.710 |
2 |
5 |
|
|
1.710 |
2 |
6 |
ClCOClCO |
Oxalyl chloride |
1.747 |
1 |
5 |
|
|
1.747 |
2 |
6 |
C2ClF3 |
Ethene, chlorotrifluoro- |
1.700 |
2 |
6 |
C2Cl4 |
Tetrachloroethylene |
1.709 |
1 |
3 |
|
|
1.709 |
1 |
4 |
|
|
1.709 |
2 |
5 |
|
|
1.709 |
2 |
6 |
CFClCFCl |
cis-1,2-dichloro-1,2-difluoroethylene |
1.697 |
1 |
5 |
|
|
1.697 |
2 |
6 |
CFClCClF |
trans-1,2-dichloro-1,2-difluoroethylene |
1.700 |
1 |
5 |
|
|
1.700 |
2 |
6 |
CCl3CHO |
trichloroacetaldehyde |
1.746 |
1 |
4 |
|
|
1.777 |
1 |
5 |
|
|
1.777 |
1 |
6 |
CF3CH2Cl |
2,2,2-Trifluoroethyl chloride |
1.767 |
1 |
3 |
CHCl2CHF2 |
1,1-dichloro-2,2-difluoroethane |
1.768 |
1 |
5 |
|
|
1.768 |
1 |
6 |
CH2ClCCl3 |
1,1,1,2-tetrachloroethane |
1.784 |
1 |
4 |
|
|
1.770 |
1 |
5 |
|
|
1.770 |
1 |
6 |
|
|
1.769 |
2 |
3 |
CHFClCHFCl |
1,2-dichloro-1,2-difluoroethane RR |
1.769 |
1 |
7 |
|
|
1.769 |
2 |
8 |
CHFClCHClF |
ethane, 1,2-dichloro-1,2-difluoro- |
1.775 |
1 |
7 |
|
|
1.775 |
2 |
8 |
C4H3ClO |
Furan, 2-chloro |
1.697 |
1 |
6 |
C3H5Cl3 |
Propane, 1,2,3-trichloro- |
1.757 |
1 |
4 |
|
|
1.754 |
2 |
6 |
|
|
1.754 |
3 |
5 |
C3H5ClO2 |
Carbonochloridic acid, ethyl ester |
1.713 |
10 |
11 |
C4H8Cl2 |
1,4-Dichlorobutane |
1.780 |
1 |
4 |
|
|
1.780 |
2 |
3 |
C4H8Cl2 |
Butane, 1,2-dichloro- |
1.775 |
4 |
14 |
|
|
1.781 |
6 |
7 |
C4H8Cl2 |
Butane, 1,3-dichloro- |
1.785 |
5 |
7 |
|
|
1.777 |
11 |
14 |
C4H8Cl2 |
Butane, 2,3-dichloro-, (r*,s*)- |
1.784 |
1 |
5 |
|
|
1.784 |
2 |
6 |
C4H9ClO |
1-Chloro-2-ethoxyethane |
1.770 |
1 |
2 |
C5H11Cl |
Pentane, 1-chloro- |
1.781 |
1 |
2 |
C6H5Cl |
chlorobenzene |
1.724 |
1 |
2 |
C2Cl6 |
hexachloroethane |
1.768 |
1 |
3 |
|
|
1.768 |
1 |
4 |
|
|
1.768 |
1 |
5 |
|
|
1.768 |
2 |
6 |
|
|
1.768 |
2 |
7 |
|
|
1.768 |
2 |
8 |
CF2ClCF2Cl |
1,2-Dichloro-1,1,2,2-tetrafluoroethane |
1.765 |
1 |
3 |
|
|
1.765 |
2 |
4 |
CF3CF2Cl |
pentafluorochloroethane |
1.760 |
1 |
3 |
C6H4Cl2 |
1,2-dichlorobenzene |
1.724 |
1 |
7 |
|
|
1.724 |
2 |
8 |
C6H4Cl2 |
1,4-dichlorobenzene |
1.733 |
1 |
7 |
|
|
1.733 |
2 |
8 |
C6H4Cl2 |
1,3-dichlorobenzene |
1.732 |
4 |
7 |
|
|
1.732 |
5 |
8 |
C3Cl3N3 |
1,3,5-Triazine, 2,4,6-trichloro- |
1.713 |
1 |
7 |
|
|
1.713 |
2 |
8 |
|
|
1.713 |
3 |
9 |