National Institute of Standards and Technology
Computational Chemistry Comparison and Benchmark DataBase
Release 17bSeptember 2015
NIST Standard Reference Database 101
IIExperimental data
IIICalculated data
IVData comparisons
VCost comparisons
VIInput and output files
VIITutorials and Units
VIIILinks to other sites
XOlder CCCBDB versions
XIII Vibrations
XIVReaction data
XVEntropy data
XVIBibliographic data
XVIIIon data
XVIIIBad calculations
XIXIndex of properties
XXH-bond dimers

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Molecules with Cl in CCCBDB

Click on the molecule name for links to all the data in the CCCBDB for that molecule.
Molecule Name Cation Name Anion Name
Cl Chlorine atom Cl+ Chlorine atom cation Cl- Chlorine atom anion
HCl Hydrogen chloride HCl+ hydrogen chloride cation HCl- hydrogen chloride anion
DCl Hydrochloric acid-d
LiCl lithium chloride LiCl+ lithium chloride cation LiCl- lithium chloride anion
BeCl beryllium chloride BeCl+ beryllium monochloride cation BeCl- beryllium monochloride anion
BCl boron monochloride BCl+ boron monochloride cation BCl- boron monochloride anion
CCl carbon monochloride CCl+ carbon monochloride cation CCl- carbon monochloride anion
NCl nitrogen monochloride NCl+ nitrogen monochloride cation NCl- nitrogen monochloride anion
ClO Monochlorine monoxide ClO+ chlorine monoxide cation ClO- chlorine monoxide anion
ClF Chlorine monofluoride ClF+ clorine monofluoride cation ClF- clorine monofluoride anion
NaCl Sodium Chloride NaCl+ sodium chloride cation NaCl- sodium chloride anion
MgCl magnesium monochloride MgCl+ magnesium monochloride cation MgCl- magnesium monochloride anion
AlCl Aluminum monochloride AlCl+ aluminum monochloride cation AlCl- aluminum monochloride anion
SiCl Clorosilylidyne SiCl+ silicon monochloride cation SiCl- silicon monochloride anion
PCl phosphorus chloride PCl+ phosphorus monochloride cation PCl- phosphorus monochloride anion
SCl sulfur monochloride SCl+ sulfur monochloride cation SCl- sulfur monochloride anion
Cl2 Chlorine diatomic Cl2+ chlorine diatomic cation Cl2- chlorine diatomic anion
KCl Potassium Chloride
CaCl calcium monochloride
TiCl Titanium Monochloride
CuCl Copper monochloride
ZnCl Zinc monochloride
GaCl Gallium monochloride
GeCl Germanium monochloride
BrCl Bromine monochloride BrCl+ bromine chloride cation BrCl- bromine chloride anion
ICl Iodine monochloride
   H2Cl+ dihydrogen monochloride cation
HCCl Chloromethylene
HOCl hypochlorous acid
DOCl Hypochlorous acid-d
ClCN chlorocyanogen
ClCO carbonyl monochloride
ClNO Nitrosyl chloride
OClO Chlorine dioxide OClO+ Chlorine dioxide cation OClO- Chlorine dioxide anion
ClOO chloroperoxy radical ClOO+ chloroperoxy cation
BeCl2 Beryllium chloride
CCl2 dichloromethylene CCl2+ dichloromethylene cation CCl2- dichloromethylene anion
Cl2O Dichlorine monoxide
MgCl2 Magnesium dichloride
SiCl2 Dichlorosilylene
ClS2 Sulfur chloride
SCl2 Sulfur dichloride
     Cl3- trichloride anion
CaCl2 Calcium Chloride
ZnCl2 Zinc dichloride
GeCl2 Germanium dichloride
NH2Cl chloramine
HCCCl Chloroacetylene
COHCl Formyl chloride
HOClO Chlorous acid
COFCl Carbonic chloride fluoride
BHCl2 Borane, dichloro-
ClNO2 Nitryl chloride
ClONO chlorine nitrite
     ClO3- chlorate anion
ClF3 Chlorine trifluoride
C2Cl2 dichloroacetylene C2Cl2+ dichloroacetylene cation
CHCl2 dichloromethyl radical
CCl2O Phosgene
AlF2Cl Aluminum chloride difluoride
ClOOCl Dichlorine dioxide
Cl2CS Thiophosgene
BCl3 Borane, trichloro-
Na2Cl2 Disodium dichloride
AlFCl2 Aluminum dichloride fluoride
CCl3 Trichloromethyl radical CCl3+ Trichloromethyl cation CCl3- Trichloromethyl anion
SOCl2 thionyl chloride
NCl3 nitrogen trichloride
AlCl3 Aluminum trichloride
SiCl3 trichlorosilyl radical SiCl3+ trichlorosilyl cation
PCl3 Phosphorus trichloride
S2Cl2 Disulfur dichloride
GaCl3 Gallium trichloride
AsCl3 Arsenous trichloride
SeOCl2 selenium oxychloride
CH2Cl chloromethyl radical
CH3Cl Methyl chloride
CD3Cl methyl chloride d3
CH2FCl fluorochloromethane
SiH3Cl chlorosilane
CH2Cl2 Methylene chloride
CHF2Cl difluorochloromethane
HClO3 Chloric Acid
ClONO2 Chlorine nitrate
     ClO4- perchlorate anion
CHFCl2 fluorodichloromethane
CF3Cl Methane, chlorotrifluoro-
SiH2Cl2 dichlorosilane
ClFO3 Perchloryl fluoride
CHCl3 Chloroform
CF2Cl2 difluorodichloromethane
CDCl3 trichloromethane-d
CFCl3 Trichloromonofluoromethane
SO2Cl2 Sulfuryl chloride
SiHCl3 Trichlorosilane
CCl4 Carbon tetrachloride CCl4+ Carbon tetrachloride cation
Cl3PO Phosphoryl chloride
SiCl4 Silane, tetrachloro-
TiCl4 Titanium tetrachloride
GeCl4 Germanium Tetrachloride
CH2ClBr Methane, bromochloro-
CHBrCl2 Methane, bromodichloro-
CBrClF2 Methane, bromochlorodifluoro-
CBrCl3 Methane, bromotrichloro-
CHClBr2 Methane, dibromochloro-
CH2CHCl Ethene, chloro-
CH3OCl methyl hypochlorite
CH2CCl2 Ethene, 1,1-dichloro-
CHClCHCl Ethene, 1,2-dichloro-, (Z)-
CHClCHCl Ethene, 1,2-dichloro-, (E)-
HClO4 perchloric acid
ClF5 chlorinepentafluoride
CHClCCl2 Trichloroethylene
B2Cl4 Diboron tetrachloride
C2Cl4 Tetrachloroethylene
PCl5 Phosphorus pentachloride
CH3COCl Acetyl Chloride
CH2ClCHO chloroacetaldehyde
CHCl2CHO dichloroacetaldehyde
CF3COCl trifluoroacetyl chloride
CCl3CHO trichloroacetaldehyde
SF5Cl sulfur chloropentafluoride
SiH3CCl3 (trichloromethyl)silane
CH3CH2Cl Ethyl chloride
CH2FCH2Cl Ethane, 1-chloro-2-fluoro-
CH3CHFCl Ethane, 1-chloro-1-fluoro-
CH3CHCl2 Ethane, 1,1-dichloro-
CH3CF2Cl 1-Chloro-1,1-Difluoroethane
CH2ClCH2Cl Ethane, 1,2-dichloro-
CF3CH2Cl 2,2,2-Trifluoroethyl chloride
CH3CFCl2 1,1-Dichloro-1-fluoroethane
CH3CCl3 Ethane, 1,1,1-trichloro-
CH2ClCHCl2 1,1,2-trichloroethane
CF3CHFCl 1,1,1,2-tetrafluorochloroethane
SiCl3CH3 methyltrichlorosilane
CF3CF2Cl pentafluorochloroethane
CF3CHCl2 1,1-Dichloro-2,2,2-trifluoroethane
CF2ClCF2Cl 1,2-Dichloro-1,1,2,2-tetrafluoroethane
CF3CFCl2 1,1-Dichlorotetrafluoroethane
CF2ClCFCl2 Ethane, 1,1,2-trichloro-1,2,2-trifluoro-
C2Cl6 hexachloroethane
Al2Cl6 Aluminum, di-μ-chlorotetrachlorodi-
CHCl2CHF2 1,1-dichloro-2,2-difluoroethane
C3H5Cl 1-Propene, 3-chloro-
C3H5Cl 1-chloro-1-propene(Z)
C3H5Cl 1-chloro-1-propene(E)
C4H3ClO Furan, 2-chloro
C4H3ClO Furan,3-chloro
C3Cl3N3 1,3,5-Triazine, 2,4,6-trichloro-
C3H5ClO Oxirane, (chloromethyl)-
CH3CHClCH3 Propane, 2-chloro-
CH2ClCH2CH3 Propane, 1-chloro-
C3H5ClO2 Carbonochloridic acid, ethyl ester
CH2ClCHClCH3 Propane, 1,2-dichloro-
CH3CCl2CH3 Propane, 2,2-dichloro-
C3H5Cl3 Propane, 1,2,3-trichloro-
CH2CHCHClCH3 1-Butene, 3-chloro-
CH2ClCHCHCH3 2-Butene, 1-chloro-
CH2CHCH2CH2Cl 1-Butene, 4-chloro-
CH2CClCH2CH3 1-Butene, 2-chloro-
CH3CClCHCH3 2-Butene, 2-chloro-, (Z)-
CH3CClCHCH3 2-Butene, 2-chloro-, (E)-
CHClCHCH2CH3 (Z)-1-Chloro-1-butene
CHClCHCH2CH3 (E)-1-Chloro-1-butene
C6H5Cl chlorobenzene
C6H4Cl2 1,3-dichlorobenzene
CH3CHClCH2CH3 Butane, 2-chloro-
CH2ClCH2CH2CH3 Butane, 1-chloro-
CH3CCl(CH3)CH3 Propane, 2-chloro-2-methyl-
C4H8Cl2 1,4-Dichlorobutane
C4H8Cl2 Butane, 1,2-dichloro-
C4H8Cl2 Butane, 1,3-dichloro-
C4H8Cl2 Butane, 2,3-dichloro-, (r*,r*)-(.+/-.)-
C4H8Cl2 Butane, 2,3-dichloro-, (r*,s*)-
C4H9ClO 1-Chloro-2-ethoxyethane
C5H11Cl Pentane, 1-chloro-