CCCBDB listing of experimental data page 2

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Property	Value	Uncertainty	units	Reference
Hfg(298.15K)	-281.53	10.00	kJ mol^-1	Gurvich
Hfg(0K)	-278.00	10.00	kJ mol^-1	Gurvich
Entropy (298.15K)	253.68		J K^-1 mol^-1	Gurvich
Integrated Heat Capacity (0 to 298.15K)	10.51		kJ mol^-1	Gurvich
Heat Capacity (298.15K)	39.52		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	A₁	1076		webbook
2	A₁	397		webbook
3	B₂	1328		1979HUB/HER

Description	Value	unc.	Connectivity				Reference	Comment
Description	Value	unc.	Atom 1	Atom 2	Atom 3	Atom 4	Reference	Comment
rPO	1.467		1	2			1985Kaw/Sai:4893	r0 structure
aOPO	135.28		2	1	3		1985Kaw/Sai:4893	r0 structure

Atom	y (Å)	z (Å)
P1	0.0000	0.2879
O2	1.3563	-0.2699
O3	-1.3563	-0.2699

	P1	O2	O3
P1		1.4665	1.4665
O2	1.4665		2.7125
O3	1.4665	2.7125

	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	C_2v	True							C_2v	1	2

squib	reference	DOI
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
1985Kaw/Sai:4893	K Kawaguchi, S Saito, E Hirota "Far-Infrared laser magnetic resonance detection and microwave spectroscopy of the PO2 radical" J. Chem. Phys. 82(11), 1985, 4893	10.1063/1.448661
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

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Experimental data for PO2+ (Phosphorus dioxide cation)

Experimental data for PO₂⁺ (Phosphorus dioxide cation)