CCCBDB listing of experimental data page 2

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Property	Value	Uncertainty	units	Reference
Hfg(298.15K)	86.63	1.00	kJ mol^-1	Gurvich
Hfg(0K)	91.20	1.00	kJ mol^-1	Gurvich
Entropy (298.15K)	314.73		J K^-1 mol^-1	Gurvich
Integrated Heat Capacity (0 to 298.15K)	17.12		kJ mol^-1	Gurvich
Heat Capacity (298.15K)	72.73		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'	1832		1994sti/pap:2910
2	A'	1652		1994sti/pap:2910
3	A'	1305		1994sti/pap:2910
4	A'	773		1994sti/pap:2910
5	A'	627		1994sti/pap:2910
6	A'	241		1994sti/pap:2910
7	A'	205		1994sti/pap:2910
8	A"	414		1994sti/pap:2910
9	A"	63		1979HUB/HER

Description	Value	unc.	Connectivity				Reference	Comment
Description	Value	unc.	Atom 1	Atom 2	Atom 3	Atom 4	Reference	Comment
rNO	1.142		1	3			1988Che/Smi:843	NO end
rNN	1.864		1	2			1988Che/Smi:843
rNO	1.202		2	4			1988Che/Smi:843	NO2 end cis to NO
rNO	1.217		2	5			1988Che/Smi:843	NO2 end trans to NO
aNNO	105.5		2	1	3		1988Che/Smi:843	NO end
aNNO	112.72		1	2	4		1988Che/Smi:843	NO2 end cis to NO
aNNO	117.47		1	2	5		1988Che/Smi:843	NO2 end trans to NO
aONO	129.82		4	2	5		1988Che/Smi:843
dONNO	0		3	1	2	4		by symmetry

Atom	x (Å)	y (Å)
N1	-0.7028	-1.0958
N2	0.0000	0.6307
O3	0.2014	-1.7934
O4	1.2019	0.6426
O5	-0.7885	1.5577

	N1	N2	O3	O4	O5
N1		1.8640	1.1420	2.5788	2.6549
N2	1.8640		2.4324	1.2020	1.2170
O3	1.1420	2.4324		2.6334	3.4942
O4	2.5788	1.2020	2.6334		2.1907
O5	2.6549	1.2170	3.4942	2.1907

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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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^'	C_s	True				2.122	1974Hel/Hel(II/6)	μ_a=2.052± 0.007 μ_b=0.541± 0.007 μ=2.122± 0.010	C_s	2	3

squib	reference	DOI
1974Hel/Hel(II/6)	Hellwege, KH and AM Hellwege (eds.). Landolt-Bornstein: Group II: Volume 6 Molecular Constants from Microwave, Molecular Beam, and Electron Spin Resonance Spectroscopy Springer-Verlag. Berlin. 1974.	10.1007/b19951
1979HUB/HER	Huber, K.P.; Herzberg, G., Molecular Spectra and Molecular Structure. IV. Constants of Diatomic Molecules, Van Nostrand Reinhold Co., 1979	10.1007/978-1-4757-0961-2
1988Che/Smi:843	Chewter, L.; Smith, I.; Yarwood, G. "A high resolution FTIR spectroscopid study of the n(nu)1 (n = 1-4) bands of N2O3." Molecular Physics. 63, 843-864 (1988)	10.1080/00268978800100601
1994sti/pap:2910	Andras Stirling, Imre Papai, Janos Mink "Density functional study of nitorgen oxides" J. Chem. Phys. 100(4), 2910, 1994	10.1063/1.466433
Gurvich	Gurvich, L.V.; Veyts, I. V.; Alcock, C. B., Thermodynamic Properties of Individual Substances, Fouth Edition, Hemisphere Pub. Co., New York, 1989

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
N1	N2	O4	112.720		N1	N2	O5	117.470
N2	N1	O3	105.500		O4	N2	O5	129.810

Bond Type	Count
N-N	1
N=O	3

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Experimental data for N2O3 (Dinitrogen trioxide)

Experimental data for N₂O₃ (Dinitrogen trioxide)