National Institute of Standards and Technology
Computational Chemistry Comparison and Benchmark DataBase
Release 21August 2020
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.1.

Molecules with Br 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
Br Bromine atom Br+ Bromine atom cation Br- Bromine atom anion
HBr hydrogen bromide HBr+ hydrogen bromide cation HBr- hydrogen bromide anion
LiBr Lithium Bromide LiBr+ lithium bromide cation LiBr- lithium bromide anion
BBr Boron monobromide
CBr Carbon monobromide
NBr nitrogen monobromide
BrO Bromine monoxide    BrO- Bromine monoxide anion
BrF Bromine monofluoride BrF+ bromine fluoride cation BrF- bromine fluoride anion
NaBr Sodium Bromide NaBr+ sodium bromide cation NaBr- sodium bromide anion
AlBr Aluminum monobromide
SiBr Silicon monobromide SiBr+ Silicon monobromide cation
PBr Phosphorus monobromide
BrCl Bromine monochloride BrCl+ bromine chloride cation BrCl- bromine chloride anion
CaBr Calcium monobromide
KBr Potassium Bromide
Br2 Bromine diatomic Br2+ bromine diatomic cation Br2- bromine diatomic anion
IBr Iodine monobromide
   H2Br+ protonated hydrogen bromide
CHBr bromomethylene
HOBr Hypobromous acid HOBr+ Hypobromous acid cation
BrCN Cyanogen bromide
BrNO Nitrosyl bromide
OBrO OBrO
BrOCl BrOCl
CBr2 dibromomethylene
BeBr2 Beryllium bromide
BrOBr Bromine oxide
CaBr2 Calcium dibromide
CH2Br bromomethyl radical
HCCBr bromoacetylene
COHBr COHBr
BrONO Bromine nitrite
BrF3 Bromine trifluoride
CHBr2 dibromomethyl radical
COBr2 Carbonic dibromide
BBr3 Boron tribromide
CBr3 tribromomethyl radical
NBr3 Nitrogen Tribromide
PBr3 Phosphorus tribromide
CH3Br methyl bromide
CH2BrF Methane, bromofluoro-
SiH3Br bromosilane
CH2BrCl Methane, bromochloro-
CHBrF2 Methane, bromodifluoro-
BrONO2 Bromine nitrate
CF3Br Bromotrifluoromethane
CHFClBr fluorochlorobromomethane
CHBrCl2 Methane, bromodichloro-
CBrClF2 Methane, bromochlorodifluoro-
CH2Br2 dibromomethane
CBrCl2F bromodichlorofluoromethane
CHBr2F dibromofluoromethane
CBrCl3 Methane, bromotrichloro-
CBr2F2 Methane, dibromodifluoro-
CHClBr2 Methane, dibromochloro-
CBr2ClF dibromochlorofluoromethane
CBr2Cl2 dibromodichloromethane
CHBr3 bromoform
CFBr3 fluorotribromomethane
CBr3Cl tribromochloromethane
CBr4 Carbon tetrabromide
SiBr4 Silicon tetrabromide
CH2BrI bromoiodomethane
C2H3Br vinyl bromide
CHBrCF2 1-Bromo-2,2-difluoroethylene
BrF5 bromine pentafluoride
CHBrCHBr Ethene, 1,2-dibromo-, (Z)-
CHBrCHBr Ethene, 1,2-dibromo-, (E)-
C2H2Br2 1,1-dibromoethene
C2H5Br Ethyl bromide
CH2BrCH2Cl 1-bromo-2-chloroethane
CH2BrCH2Br Ethane, 1,2-dibromo-
CH3CBr3 1,1,1-tribromoethane
CH2BrCBr3 1,1,1,2-tetrabromo ethane
CH3CHBrCH3 i-propyl bromide
CH3CH2CH2Br n-propyl bromide
C6H5Br bromobenzene