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.

I.B.1.d.2.

Bonds types in CCCBDB

All species with N=N bond.

Species	Name	List all bonds	Experimental data
N2-	nitrogen diatomic anion	List all bonds	Experimental data
N2+	diatomic nitrogen cation	List all bonds	Experimental data
NNH	Dinitrogen monohydride	List all bonds	Experimental data
H2NN	Isodiazene	List all bonds	Experimental data
N2H2	(E)-diazene	List all bonds	Experimental data
N2H2	(Z)-Diazene	List all bonds	Experimental data
N2H2+	trans-diazene cation	List all bonds	Experimental data
N2H4	Hydrazine	List all bonds	Experimental data
N2H4+	hydrazine cation	List all bonds	Experimental data
CN2	3H-Diazirin-3-ylidene	List all bonds	Experimental data
CNN	Diazocarbene	List all bonds	Experimental data
N3	azide radical	List all bonds	Experimental data
N3-	azide anion	List all bonds	Experimental data
N3+	azide cation	List all bonds	Experimental data
HCNN	diazomethyl radical	List all bonds	Experimental data
HN3	hydrogen azide	List all bonds	Experimental data
CH2N2	diazirine	List all bonds	Experimental data
CH2NN	diazomethane	List all bonds	Experimental data
HNNNH+	1,2-Triazadienium	List all bonds	Experimental data
N2O	Nitrous oxide	List all bonds	Experimental data
N2O-	Nitrous oxide anion	List all bonds	Experimental data
N2O+	Nitrous oxide cation	List all bonds	Experimental data
NNS	Nitrogen sulfide	List all bonds	Experimental data
HNNO+	Nitrous oxide, N-protonated	List all bonds	Experimental data
CH3N3	methyl azide	List all bonds	Experimental data
CH3NNCH3	(Z)-1,2-Dimethyldiazene	List all bonds	Experimental data
N2F2	(Z)-Difluorodiazene	List all bonds	Experimental data
N2F2	Dinitrogen difluoride, (E)-	List all bonds	Experimental data
CH2N4	1H-Tetrazole	List all bonds	Experimental data
CH3N5	5-Aminotetrazole	List all bonds	Experimental data
C2H4N4	1H-Tetrazole, 1-methyl-	List all bonds	Experimental data
C2H4N4	1H-Tetrazole, 5-methyl-	List all bonds	Experimental data
C2H4N4	2H-Tetrazole, 2-methyl-	List all bonds	Experimental data
C2H6N2O2	(E)-Azodioxymethane	List all bonds	Experimental data
C12H10N2	azobenzene	List all bonds	Experimental data