National Institute of Standards and Technology
Computational Chemistry Comparison and Benchmark DataBase
Release 22May 2022
NIST Standard Reference Database 101
IIntroduction
IIExperimental data
IIICalculated data
IVData comparisons
VCost comparisons
VIInput and output files
VIITutorials and Units
VIIILinks to other sites
IXFeedback
XOlder CCCBDB versions
XIIGeometries
XIII Vibrations
XIVReaction data
XVEntropy data
XVIBibliographic data
XVIIIon data
XVIIIBad calculations
XIXIndex of properties
XXH-bond dimers
XXIOddities
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I.B.1.d.2.

Bonds types in CCCBDB

All species with C-Cl bond.

Species Name List all bonds Experimental data
CCl carbon monochloride List all bonds Experimental data
CCl- carbon monochloride anion List all bonds Experimental data
CCl+ carbon monochloride cation List all bonds Experimental data
HCCl Chloromethylene List all bonds Experimental data
CH2Cl+ chloromethyl cation List all bonds Experimental data
CH2Cl chloromethyl radical List all bonds Experimental data
CD3Cl methyl chloride d3 List all bonds Experimental data
CH3Cl Methyl chloride List all bonds Experimental data
CH3Cl+ Methyl chloride cation List all bonds Experimental data
CH3ClH+ methyl chloride, protonated List all bonds Experimental data
ClCN chlorocyanogen List all bonds Experimental data
ClCO carbonyl monochloride List all bonds Experimental data
CFCl chlorofluoromethylene List all bonds Experimental data
CCl2 dichloromethylene List all bonds Experimental data
CCl2- dichloromethylene anion List all bonds Experimental data
CCl2+ dichloromethylene cation List all bonds Experimental data
HCCCl Chloroacetylene List all bonds Experimental data
COHCl Formyl chloride List all bonds Experimental data
CHCl2 dichloromethyl radical List all bonds Experimental data
CHFCl Chlorofluoromethyl radical List all bonds Experimental data
CHFCl+ Chlorofluoromethyl cation List all bonds Experimental data
CHCl2+ dichloromethyl cation List all bonds Experimental data
CH2FCl fluorochloromethane List all bonds Experimental data
CH2Cl2 Methylene chloride List all bonds Experimental data
CH2BrCl Methane, bromochloro- List all bonds Experimental data
C2H3Cl Ethene, chloro- List all bonds Experimental data
CH2CH2Cl 2-chloroethyl radical List all bonds Experimental data
CHClCH3 1-chloroethyl radical List all bonds Experimental data
CH3CH2Cl Ethyl chloride List all bonds Experimental data
C2Cl2 dichloroacetylene List all bonds Experimental data
C2Cl2+ dichloroacetylene cation List all bonds Experimental data
COFCl Carbonic chloride fluoride List all bonds Experimental data
CCl2O Phosgene List all bonds Experimental data
Cl2CS Thiophosgene List all bonds Experimental data
CF2Cl difluorochloromethyl radical List all bonds Experimental data
CFCl2 dichlorofluoromethyl radical List all bonds Experimental data
CCl3 Trichloromethyl radical List all bonds Experimental data
CCl3- Trichloromethyl anion List all bonds Experimental data
CCl3+ Trichloromethyl cation List all bonds Experimental data
CHF2Cl difluorochloromethane List all bonds Experimental data
CHFCl2 fluorodichloromethane List all bonds Experimental data
CDCl3 trichloromethane-d List all bonds Experimental data
CHCl3 Chloroform List all bonds Experimental data
CHFClBr fluorochlorobromomethane List all bonds Experimental data
CHBrCl2 Methane, bromodichloro- List all bonds Experimental data
CHFClI fluorochloroiodomethane List all bonds Experimental data
CHCl2I dichloroiodomethane List all bonds Experimental data
CHClBr2 Methane, dibromochloro- List all bonds Experimental data
C2H2ClF 1-chloro-1-fluoroethylene List all bonds Experimental data
CHFCHCl (E)-1-chloro-2-fluoroethene List all bonds Experimental data
CHFCHClz (Z)-1-Chloro-2-fluoroethene List all bonds Experimental data
CH2CCl2 Ethene, 1,1-dichloro- List all bonds Experimental data
CHClCHCl Ethene, 1,2-dichloro-, (E)- List all bonds Experimental data
CHClCHCl Ethene, 1,2-dichloro-, (Z)- List all bonds Experimental data
CH2ClCHO chloroacetaldehyde List all bonds Experimental data
CH3COCl Acetyl Chloride List all bonds Experimental data
CH2FCH2Cl Ethane, 1-chloro-2-fluoro- List all bonds Experimental data
CH3CHFCl Ethane, 1-chloro-1-fluoro- List all bonds Experimental data
CH2ClCH2Cl Ethane, 1,2-dichloro- List all bonds Experimental data
CH3CHCl2 Ethane, 1,1-dichloro- List all bonds Experimental data
CH2BrCH2Cl 1-bromo-2-chloroethane List all bonds Experimental data
C3H5Cl 1-Propene, 3-chloro- List all bonds Experimental data
C3H5Cl 1-chloro-1-propene(E) List all bonds Experimental data
C3H5Cl 1-chloro-1-propene(Z) List all bonds Experimental data
CH2ClCH2OH 2-Chloroethanol List all bonds Experimental data
CH2ClCH2OH2+ 2-chloroethanol, protonated List all bonds Experimental data
CH2ClCH2CH3 Propane, 1-chloro- List all bonds Experimental data
CH3CHClCH3 Propane, 2-chloro- List all bonds Experimental data
CF3Cl Methane, chlorotrifluoro- List all bonds Experimental data
CF2Cl2 difluorodichloromethane List all bonds Experimental data
CFCl3 Trichloromonofluoromethane List all bonds Experimental data
CCl4 Carbon tetrachloride List all bonds Experimental data
CCl4+ Carbon tetrachloride cation List all bonds Experimental data
CBrClF2 Methane, bromochlorodifluoro- List all bonds Experimental data
CBrCl2F bromodichlorofluoromethane List all bonds Experimental data
CBrCl3 Methane, bromotrichloro- List all bonds Experimental data
CBr2ClF dibromochlorofluoromethane List all bonds Experimental data
CBr2Cl2 dibromodichloromethane List all bonds Experimental data
CCl3I trichloroiodomethane List all bonds Experimental data
CFClBrI fluorochlorobromoiodomethane List all bonds Experimental data
CBr3Cl tribromochloromethane List all bonds Experimental data
CCl2I2 dichlorodiiodomethane List all bonds Experimental data
CHClCCl2 Trichloroethylene List all bonds Experimental data
CH2ClCCCl 1,3-dichloropropyne List all bonds Experimental data
CHClCCHCl 1,3-dichloroallene List all bonds Experimental data
CHCl2CCH 3,3-dichloropropyne List all bonds Experimental data
CHCl2CHO dichloroacetaldehyde List all bonds Experimental data
CH3CF2Cl 1-Chloro-1,1-Difluoroethane List all bonds Experimental data
CH3CFCl2 1,1-Dichloro-1-fluoroethane List all bonds Experimental data
CH2ClCHCl2 1,1,2-trichloroethane List all bonds Experimental data
CH3CCl3 Ethane, 1,1,1-trichloro- List all bonds Experimental data
SiH3CCl3 (trichloromethyl)silane List all bonds Experimental data
CH2CClCHCH2 1,3-Butadiene, 2-chloro- List all bonds Experimental data
C3H5ClO Oxirane, (chloromethyl)- List all bonds Experimental data
CH2ClCH2CH2Cl 1,3-dichloropropane List all bonds Experimental data
CH2ClCHClCH3 Propane, 1,2-dichloro- List all bonds Experimental data
CH3CCl2CH3 Propane, 2,2-dichloro- List all bonds Experimental data
CHCl2CH2CH3 1,1-dichloropropane List all bonds Experimental data
CH2CClCH2CH3 1-Butene, 2-chloro- List all bonds Experimental data
CH2CHCH2CH2Cl 1-Butene, 4-chloro- List all bonds Experimental data
CH2CHCHClCH3 1-Butene, 3-chloro- List all bonds Experimental data
CH2ClCHCHCH3 2-Butene, 1-chloro- List all bonds Experimental data
CH3CClCHCH3 2-Butene, 2-chloro-, (E)- List all bonds Experimental data
CH3CClCHCH3 2-Butene, 2-chloro-, (Z)- List all bonds Experimental data
CHClCHCH2CH3 (E)-1-Chloro-1-butene List all bonds Experimental data
CHClCHCH2CH3 (Z)-1-Chloro-1-butene List all bonds Experimental data
CH2ClCH2CH2CH3 Butane, 1-chloro- List all bonds Experimental data
CH3CCl(CH3)CH3 Propane, 2-chloro-2-methyl- List all bonds Experimental data
CH3CHClCH2CH3 Butane, 2-chloro- List all bonds Experimental data
ClCOClCO Oxalyl chloride List all bonds Experimental data
C2ClF3 Ethene, chlorotrifluoro- List all bonds Experimental data
CF2CCl2 difluorodichloroethylene List all bonds Experimental data
CFClCClF trans-1,2-dichloro-1,2-difluoroethylene List all bonds Experimental data
CFClCFCl cis-1,2-dichloro-1,2-difluoroethylene List all bonds Experimental data
C2FCl3 fluorotrichloroethene List all bonds Experimental data
C2Cl4 Tetrachloroethylene List all bonds Experimental data
CCl3CHO trichloroacetaldehyde List all bonds Experimental data
CHFClCHClF ethane, 1,2-dichloro-1,2-difluoro- List all bonds Experimental data
CF3CH2Cl 2,2,2-Trifluoroethyl chloride List all bonds Experimental data
CHFClCHFCl 1,2-dichloro-1,2-difluoroethane RR List all bonds Experimental data
CH2ClCCl3 1,1,1,2-tetrachloroethane List all bonds Experimental data
CHCl2CHCl2 Ethane, 1,1,2,2-tetrachloro- List all bonds Experimental data
CHCl2CHF2 1,1-dichloro-2,2-difluoroethane List all bonds Experimental data
C4H3ClO Furan, 2-chloro List all bonds Experimental data
C4H3ClO Furan,3-chloro List all bonds Experimental data
C3H5ClO2 Carbonochloridic acid, ethyl ester List all bonds Experimental data
C3H5Cl3 Propane, 1,2,3-trichloro- List all bonds Experimental data
C4H8Cl2 1,4-Dichlorobutane List all bonds Experimental data
C4H8Cl2 Butane, 1,2-dichloro- List all bonds Experimental data
C4H8Cl2 Butane, 1,3-dichloro- List all bonds Experimental data
C4H8Cl2 Butane, 2,3-dichloro-, (r*,r*)-(.+/-.)- List all bonds Experimental data
C4H8Cl2 Butane, 2,3-dichloro-, (r*,s*)- List all bonds Experimental data
C4H9ClO 1-Chloro-2-ethoxyethane List all bonds Experimental data
C5H11Cl Pentane, 1-chloro- List all bonds Experimental data
CF3COCl trifluoroacetyl chloride List all bonds Experimental data
CF3CHFCl 1,1,1,2-tetrafluorochloroethane List all bonds Experimental data
CF3CHCl2 1,1-Dichloro-2,2,2-trifluoroethane List all bonds Experimental data
CHCl2CClF2 Ethane, 1,2,2-trichloro-1,1-difluoro- List all bonds Experimental data
CCl3CHCl2 pentachloroethane List all bonds Experimental data
C6H5Cl chlorobenzene List all bonds Experimental data
CF3CF2Cl pentafluorochloroethane List all bonds Experimental data
CF2ClCF2Cl 1,2-Dichloro-1,1,2,2-tetrafluoroethane List all bonds Experimental data
CF3CFCl2 1,1-Dichlorotetrafluoroethane List all bonds Experimental data
CF2ClCFCl2 Ethane, 1,1,2-trichloro-1,2,2-trifluoro- List all bonds Experimental data
CF3CCl3 1,1,1-trifluoro-2,2,2-trichloroethane List all bonds Experimental data
C2Cl6 hexachloroethane List all bonds Experimental data
C6H4Cl2 1,2-dichlorobenzene List all bonds Experimental data
C6H4Cl2 1,3-dichlorobenzene List all bonds Experimental data
C6H4Cl2 1,4-dichlorobenzene List all bonds Experimental data
C3Cl3N3 1,3,5-Triazine, 2,4,6-trichloro- List all bonds Experimental data