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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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.

II.B.3. (XII.A.3.)

List of experimental bond lengths for bond type rBN

Bond lengths in Å.
Click on an entry for more experimental geometry data.

bond type	Species	Name	Length	Comment
rB=N	BN	boron nitride	1.325	re
rBN	BH2NH2	Boranamine	1.391
rBN	NH2BHNH2	diaminoborane	1.418
rBN	B3N3H6	borazine	1.436
rBN	BH3NH3	borane ammonia	1.645
rBN	NH3BF3	Amminetrifluoroboron	1.673	Corrected reverse isotope shift
Average			1.481	±0.143
Min			1.325
Max			1.673