National Institute of Standards and Technology
Computational Chemistry Comparison and Benchmark DataBase
Release 21August 2020
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 B 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
B Boron atom B+ Boron atom cation B- Boron atom anion
BH Boron monohydride BH+ boron monohydride cation BH- boron monohydride anion
LiB Lithium boride
BeB Beryllium monoboride
B2 Boron diatomic B2+ Boron diatomic cation B2- Boron diatomic anion
BC boron monocarbide BC+ boron monocarbide cation BC- boron monocarbide anion
BN boron nitride BN+ boron nitride cation BN- boron nitride anion
BO boron monoxide BO+ boron monoxide cation BO- boron monoxide anion
BF Boron monofluoride BF+ Boron monofluoride cation BF- Boron monofluoride anion
BAl Boron Aluminum
BSi Boron silicide
BP Boron monophosphide
BS boron sulfide BS+ boron monosulfide cation BS- boron monosulfide anion
BCl boron monochloride BCl+ boron monochloride cation BCl- boron monochloride anion
BGa Boron Gallium
BBr Boron monobromide
BH2 boron dihydride BH2+ Boron dihydride cation BH2- boron dihydride anion
HNB hydrogen nitrogen boron
HBO Boron hydride oxide
BO2 Boron dioxide BO2+ Boron dioxide cation BO2- Boron dioxide anion
BF2 Boron difluoride radical
HBS hydrogen boron sulfide
BH3 boron trihydride BH3+ boron trihydride cation BH3- boron trihydride anion
HBBH Diborane(2)
HBNH Boranimine
B2O2 Diboron dioxide
BHF2 Difluoroborane
BF3 Borane, trifluoro- BF3+ boron trifluoride cation BF3- Borane, trifluoro- anion
BHCl2 Borane, dichloro-
BCl3 Borane, trichloro-
BBr3 Boron tribromide
BH4 borohydride    BH4- borohydride anion
CH2BH methyleneborane
     BF4- tetrafluoroboron anion
LiBH4 Lithium borohydride
B2H4 Diborane(4) D2d
HBHHBH Diborane(4) C2V
BH2NH2 Boranamine
CH2BOH hydroxy(methylene)borane
BH3CO Borane carbonyl
CH3BO Borane, methyloxo-
B2F4 Diboron tetrafluoride
B2Cl4 Diboron tetrachloride
CH3BH2 methylborane
H3BO3 Boric acid
B2H6 Diborane B2H6+ Diborane cation
BH3NH3 borane ammonia
NH3BF3 Amminetrifluoroboron
BH3PH3 borane phosphine
B3N3H6 borazine
B(CH3)3 trimethylborane
B4H10 Tetraborane(10)
B5H9 pentaborane9
     B12H12-- Dodecahydrododecaborate(2-)