CCCBDB listing of experimental data page 2

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Property	Value	Uncertainty	units	Reference	Comment
Hfg(298.15K)	12.30	0.25	kJ mol^-1	2006Rus/Pin:6592	3.64+-0.06 kcal 2.94
Hfg(0K)	15.23	0.25	kJ mol^-1	2006Rus/Pin:6592	3.64+-0.06 kcal 2.94
Entropy (298.15K)	229.10		J K^-1 mol^-1	Gurvich
Integrated Heat Capacity (0 to 298.15K)	10.00		kJ mol^-1	Gurvich
Heat Capacity (298.15K)	34.90		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'	3436		VEEL5
2	A'	1392		VEEL5
3	A'	1098		VEEL5

Description	Value	unc.	Connectivity				Reference	Comment
Description	Value	unc.	Atom 1	Atom 2	Atom 3	Atom 4	Reference	Comment
rOH	0.971		1	3			1984Lub/Ama:4826	re values
rOO	1.331		1	2			1984Lub/Ama:4826	re value
aHOO	104.29		2	1	3		1984Lub/Ama:4826	equilibrium value

Atom	x (Å)	y (Å)
O1	0.0553	-0.6132
O2	0.0553	0.7198
H3	-0.8853	-0.8528

	O1	O2	H3
O1		1.3331	0.9707
O2	1.3331		1.8325
H3	0.9707	1.8325

	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	²A^"	C_s	True							C_s	2	3
1	2	²Π	C_∞v	False							C_∞v	1	1

squib	reference	DOI
1982Cha/Del:426	Charo, A.; De Lucia, F. "The Millimeter and Submillimter Spectrum of HO2: The Effects of Unpaired Electronic Spin in a Light Asymmetric Rotor." Journal of Molecular Spectroscopy. 94, 426-436 (1982)	10.1016/0022-2852(82)90018-2
1984Lub/Ama:4826	KG Lubic, T Amano, H Uehara, K Kawaguchi, E Hirota :The nu1 band of the DO2 radical by difference frequency laser and diode laser spectroscopy: The equilibrium sturcture of the hydroperoxyl radical" J. Chem. Phys. 81, 4826, 1984	10.1063/1.447508
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
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
Gurvich	Gurvich, L.V.; Veyts, I. V.; Alcock, C. B., Thermodynamic Properties of Individual Substances, Fouth Edition, Hemisphere Pub. Co., New York, 1989
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

Bond Type	Count
H-O	1
O-O	1

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Experimental data for HO2 (Hydroperoxy radical)

Experimental data for HO₂ (Hydroperoxy radical)