CCCBDB listing of experimental data page 2

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Property	Value	Uncertainty	units	Reference
Hfg(298.15K)	-56.87	40.00	kJ mol^-1	Gurvich
Hfg(0K)	-53.00	40.00	kJ mol^-1	Gurvich
Entropy (298.15K)	235.68		J K^-1 mol^-1	Gurvich
Integrated Heat Capacity (0 to 298.15K)	10.06		kJ mol^-1	Gurvich
Heat Capacity (298.15K)	35.81		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'	2095		VEEL5
2	A'	1188		VEEL5
3	A'	986		VEEL5

Description	Value	unc.	Connectivity				Reference	Comment
Description	Value	unc.	Atom 1	Atom 2	Atom 3	Atom 4	Reference	Comment
rPH	1.433		1	3			1966Herzberg
rPO	1.512		1	2			1966Herzberg
aHPO	104.7		2	1	3		1966Herzberg

Atom	x (Å)	y (Å)
P1	0.0578	-0.4888
O2	0.0578	1.0232
H3	-1.3283	-0.8525

	P1	O2	H3
P1		1.5120	1.4330
O2	1.5120		2.3322
H3	1.4330	2.3322

	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							C_s	2	3

squib	reference	DOI
1966Herzberg	Herzberg, G., Electronic spectra and electronic structure of polyatomic molecules,Van Nostrand,New York, 1966
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/

Bond Type	Count
H-P	1
O=P	1

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Experimental data for HPO+ (Hydrogen phosphorus oxide cation)

Experimental data for HPO⁺ (Hydrogen phosphorus oxide cation)