National Institute of Standards and Technology

Computational Chemistry Comparison and Benchmark DataBase
Release 22	May 2022
NIST Standard Reference Database 101

I	Introduction
II	Experimental data
III	Calculated data
IV	Data comparisons
V	Cost comparisons
VI	Input and output files
VII	Tutorials and Units
VIII	Links to other sites
IX	Feedback
X	Older CCCBDB versions
XII	Geometries
XIII	Vibrations
XIV	Reaction data
XV	Entropy data
XVI	Bibliographic data
XVII	Ion data
XVIII	Bad calculations
XIX	Index of properties
XX	H-bond dimers
XXI	Oddities

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© 2013 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved.

The National Institute of Standards and Technology (NIST) is an agency of the U.S. Department of Commerce.

Please send questions, comments, corrections, additions and suggestions to cccbdb@nist.gov.

I.B.1.d.2.

Bonds types in CCCBDB

All species with H-B bond.

Species	Name	List all bonds	Experimental data
BH	Boron monohydride	List all bonds	Experimental data
BH-	boron monohydride anion	List all bonds	Experimental data
BH+	boron monohydride cation	List all bonds	Experimental data
BH2	boron dihydride	List all bonds	Experimental data
BH2-	boron dihydride anion	List all bonds	Experimental data
BH2+	Boron dihydride cation	List all bonds	Experimental data
BH3	boron trihydride	List all bonds	Experimental data
BH3-	boron trihydride anion	List all bonds	Experimental data
BH3+	boron trihydride cation	List all bonds	Experimental data
BH4	borohydride	List all bonds	Experimental data
BH4-	borohydride anion	List all bonds	Experimental data
HBBH	Diborane(2)	List all bonds	Experimental data
LiBH4	Lithium borohydride	List all bonds	Experimental data
B2H4	Diborane(4) D2d	List all bonds	Experimental data
HBHHBH	Diborane(4) C2V	List all bonds	Experimental data
B2H6	Diborane	List all bonds	Experimental data
B2H6+	Diborane cation	List all bonds	Experimental data
CH2BH	methyleneborane	List all bonds	Experimental data
CH3BH2	methylborane	List all bonds	Experimental data
HBNH	Boranimine	List all bonds	Experimental data
BH2NH2	Boranamine	List all bonds	Experimental data
BH3PH3	borane phosphine	List all bonds	Experimental data
BH3NH3	borane ammonia	List all bonds	Experimental data
HBO	Boron hydride oxide	List all bonds	Experimental data
HBS	hydrogen boron sulfide	List all bonds	Experimental data
BH3CO	Borane carbonyl	List all bonds	Experimental data
BHF2	Difluoroborane	List all bonds	Experimental data
BHCl2	Borane, dichloro-	List all bonds	Experimental data
B4H10	Tetraborane(10)	List all bonds	Experimental data
B5H9	pentaborane9	List all bonds	Experimental data
B3N3H6	borazine	List all bonds	Experimental data