CCCBDB listing of experimental data page 2

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Property	Value	Uncertainty	units	Reference
Hfg(298.15K)	211.86	10.00	kJ mol^-1	Gurvich
Hfg(0K)	219.00	10.00	kJ mol^-1	Gurvich
Entropy (298.15K)	218.33		J K^-1 mol^-1	Gurvich
Integrated Heat Capacity (0 to 298.15K)	10.00		kJ mol^-1	Gurvich
Heat Capacity (298.15K)	35.04		J K^-1 mol^-1	Gurvich

Mode Number	Symmetry	Frequency			Intensity			Comment	Description
Mode Number	Symmetry	Fundamental(cm^-1)	Harmonic(cm^-1)	Reference	(km mol^-1)	unc.	Reference	Comment	Description
1	A_g	3058		2015Cra/App:3
2	A_g	1583		2015Cra/App:3
3	A_g	1529		2015Cra/App:3
4	A_u	1289		2015Cra/App:3
5	B_u	3120		2015Cra/App:3
6	B_u	1316		2015Cra/App:3

Description	Value	unc.	Connectivity				Reference	Comment
Description	Value	unc.	Atom 1	Atom 2	Atom 3	Atom 4	Reference	Comment
rNN	1.252	0.002	1	2			1974Car/Joh:340
rNH	1.028	0.008	1	3			1974Car/Joh:340
aHNN	106.85	0.75	1	2	4		1974Car/Joh:340
dHNNH	180	0	3	1	2	4	1974Car/Joh:340

Atom	x (Å)	y (Å)
N1	0.0000	0.6260
N2	0.0000	-0.6260
H3	0.9867	0.9145
H4	-0.9867	-0.9145

	N1	N2	H3	H4
N1		1.2520	1.0280	1.8294
N2	1.2520		1.8294	1.0280
H3	1.0280	1.8294		2.6906
H4	1.8294	1.0280	2.6906

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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You are here: Experimental > One molecule all properties

State	Config	State description	Conf description	Exp. min.	Dipole (Debye)				Reference	comment	Point Group	Components
State	Config	State description	Conf description	Exp. min.	x	y	z	total	Reference	comment	Point Group	dipole	quadrupole
1	1	¹A_g	C_2h	True				0.000		C2h symmetry	C_2h	0	3

squib	reference	DOI
1974Car/Joh:340	M Carlotti, JWC Johns, A Trombetti "The nu5 Fundamental Bands of N2H2 and N2D2" Can. J. Phys. 52, 340, 1974	10.1139/p74-048
2015Cra/App:3	NC Craig, KJ Appiah, CE Miller, MV Seiden, JE Varley "Reevaluation of matrix-isolation infrared spectra of the isotopologues of trans-diazene and attempts to prepare cis-diazine by photoisomerization" J. Mol. Spect. 310 (2015) 3-7	10.1016/j.jms.2014.12.009
Gurvich	Gurvich, L.V.; Veyts, I. V.; Alcock, C. B., Thermodynamic Properties of Individual Substances, Fouth Edition, Hemisphere Pub. Co., New York, 1989
webbook	NIST Chemistry Webbook (http://webbook.nist.gov/chemistry)	10.18434/T4D303

Bond Type	Count
N=N	1
H-N	2

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Experimental data for N2H2+ (trans-diazene cation)

Experimental data for N₂H₂⁺ (trans-diazene cation)