CCCBDB listing of experimental data page 2

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Property	Value	Uncertainty	units	Reference
Hfg(298.15K)	91.04	0.08	kJ mol^-1	2006Rus/Pin:6592
Hfg(0K)	90.54	0.08	kJ mol^-1	2006Rus/Pin:6592
Entropy (298.15K)	210.76		J K^-1 mol^-1	JANAF
Integrated Heat Capacity (0 to 298.15K)	9.19		kJ mol^-1	JANAF
Heat Capacity (298.15K)	29.86		J K^-1 mol^-1	webbook

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	Σ	1876	1904	2007Iri:389

Description	Value	unc.	Connectivity				Reference	Comment
Description	Value	unc.	Atom 1	Atom 2	Atom 3	Atom 4	Reference	Comment
rNO	1.154	0.000	1	2			NISTdiatomic	r0

Atom	x (Å)	y (Å)	z (Å)
O1	0.0000	0.0000	0.0000
N2	0.0000	0.0000	1.1508

	O1	N2
O1		1.1508
N2	1.1508

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Energy (cm^-1)	Degeneracy	reference	description
0	2	1979HUB/HER	²Π
119.8	2	1979HUB/HER
38440	8	1979HUB/HER
43965.7	2	1979HUB/HER

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	²Π	C_∞v	True				0.159	1971Byf/Car:271	MB μ₀	C_∞v	1	1

squib	reference	DOI
1971Byf/Car:271	CR Byfleet, A Carrington, DK Russell, "Electric dipole moments of open-shell diatomic molceules" Molecular Physics 1971, 20(2), 271-277	10.1080/00268977100100251
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
1997Oln/Can:59	TN Olney, NM Cann, G Cooper, CE Brion, Absolute scale determination for photoabsorption spectra and the calculation of molecular properties using dipole sum-rules, Chem. Phys. 223 (1997) 59-98	10.1016/S0301-0104(97)00145-6
2006Rus/Pin:6592	B Ruscic, RE Pinzon, ML Morton, NK Srinivasan, M-C Su, JW Sutherland, JV Michael "Active Thermochemical Tables: Accurate Enthalpy of Formation of Hydroperoxyl Radical, HO2" J. Phys. Chem. A 2006, 110, 6592-6601	10.1021/jp056311j
2007Iri:389	KK Irikura "Experimental Vibrational Zero-Point Energies: Diatomic Molecules" J. Phys. Chem. Ref. Data 36(2), 389, 2007	10.1063/1.2436891
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.
NISTdiatomic	NIST Diatomic Spectral Database (www.physics.nist.gov/PhysRefData/MolSpec/Diatomic/index.html)	10.18434/T4T59X
webbook	NIST Chemistry Webbook (http://webbook.nist.gov/chemistry)	10.18434/T4D303

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Experimental data for NO (Nitric oxide)