CCCBDB listing of experimental data page 2

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Property	Value	Uncertainty	units	Reference
Hfg(298.15K)	73.70	1.40	kJ mol^-1	1993Dav/Kim:2172
Hfg(0K)	78.95	1.40	kJ mol^-1	1993Dav/Kim:2172
Entropy (298.15K)	252.62		J K^-1 mol^-1	JANAF
Integrated Heat Capacity (0 to 298.15K)	10.96		kJ mol^-1	JANAF
Heat Capacity (298.15K)	46.93		J K^-1 mol^-1	JANAF

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	A₁'	1050		VEEL5
2	A₂"	762		VEEL5
3	E'	1492		VEEL5
4	E'	360		VEEL5

Description	Value	unc.	Connectivity				Reference	Comment
Description	Value	unc.	Atom 1	Atom 2	Atom 3	Atom 4	Reference	Comment
rNO	1.238		1	2			1998Kaw/Ish:193	from B0
aONO	120		2	1	3

Atom	x (Å)	y (Å)
N1	0.0000	0.0000
O2	0.0000	1.2377
O3	1.0719	-0.6189
O4	-1.0719	-0.6189

	N1	O2	O3	O4
N1		1.2377	1.2377	1.2377
O2	1.2377		2.1438	2.1438
O3	1.2377	2.1438		2.1438
O4	1.2377	2.1438	2.1438

	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	²A₁^'	all bonds equal	False							D_3h	0	1
1	2	²B₂	one short, two long	True							C_2v	1	2
1	3	²B₂	one long, two short	False							C_2v	1	2

squib	reference	DOI
1993Dav/Kim:2172	HF Davis, B Kim, HS Johnston, YT Lee "Dissociation Energy and Photochemistry of NO3" J. Phys. Chem. 1993, 97, 2172-2180	10.1021/j100112a018
1998Kaw/Ish:193	K Kawaguchi, T Ishiwata, E Hirota, I Tanaka "Infrared spectroscopy of the NO3 radical" Chem. Phys. 231, 193-198, 1998	10.1016/S0301-0104(97)00386-8
2002Rie/Tsc:231	JC Rienstra-Kiracofe, GS Tschumper, HF Schaefer III, S Nandi, GB Ellison "Atomic and Molecular Electron Affinities: Photoelectron Experiments and Theoretical Computations" Chemical Reviews 2002, 102, 231-282	10.1021/cr990044u
JANAF	Chase, M.W., Jr.; Davies, C.A.; Downey, J.R., Jr.; Frurip, D.J.; McDonald, R.A.; Syverud, A.N., JANAF Thermochemical Tables (Third Edition), J. Phys. Chem. Ref. Data,Suppl. 1, 1985, 14, 1.
VEEL5	M.E. Jacox, Vibrational and Electronic Energy Levels of Polyatomic Transient Molecules, J. Phys. Chem.Ref. Data, Monograph 3 (1994) (updated data in NIST Chemistry Webbook - http://webbook.nist.gov/chemistry/
webbook	NIST Chemistry Webbook (http://webbook.nist.gov/chemistry)	10.18434/T4D303

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	N1	O3	120.000		O2	N1	O4	120.000
O3	N1	O4	120.000

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Experimental data for NO3 (Nitrogen trioxide)

Experimental data for NO₃ (Nitrogen trioxide)