CCCBDB listing of experimental data page 2

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Property	Value	Uncertainty	units	Reference
Hfg(298.15K)	5.40	1.70	kJ mol^-1	JANAF
Hfg(0K)	13.40	1.70	kJ mol^-1	JANAF
Entropy (298.15K)	210.24		J K^-1 mol^-1	JANAF
Integrated Heat Capacity (0 to 298.15K)	10.14		kJ mol^-1	JANAF
Heat Capacity (298.15K)	37.11		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	A₁	2323		Shim
2	A₁	992		Shim
3	E	2328		Shim
4	E	1118		Shim

Description	Value	unc.	Connectivity				Reference	Comment
Description	Value	unc.	Atom 1	Atom 2	Atom 3	Atom 4	Reference	Comment
rPH	1.421		1	2			1966Herzberg
aHPH	93.3		2	1	3		1966Herzberg
aXPH	122.89		255	1	2		1966Herzberg	from symmetry. X is on symmetry axis

Atom	x (Å)	y (Å)	z (Å)
P1	0.0000	0.0000	0.0000
H2	0.0000	-1.1932	-0.7717
H3	1.0333	0.5966	-0.7717
H4	-1.0333	0.5966	-0.7717

	P1	H2	H3	H4
P1		1.4210	1.4210	1.4210
H2	1.4210		2.0666	2.0666
H3	1.4210	2.0666		2.0666
H4	1.4210	2.0666	2.0666

	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	¹A₁	C_3v	True				0.580	NSRDS-NBS10	MW	C_3v	1	1

squib	reference	DOI
1966Herzberg	Herzberg, G., Electronic spectra and electronic structure of polyatomic molecules,Van Nostrand,New York, 1966
1971Fly/Ben:225	WH Flygare, RC Benson "The molecular Zeeman effect in diamagnetic molecules and the determination of molecular magnetic moments (g values), magnetic susceptibilities, and molecular quadrupole moments" Mol. Phys. 1971, 20 (2), 225-250	10.1080/00268977100100221
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
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.
NSRDS-NBS10	R. D. Nelson Jr., D. R. Lide, A. A. Maryott "Selected Values of electric dipole moments for molecules in the gas phase" NSRDS-NBS10, 1967	10.6028/NBS.NSRDS.10
Shim	Shimanouchi, T. , Tables of Molecular Vibrational Frequencies, Consolidated Volu	10.6028/NBS.NSRDS.39
webbook	NIST Chemistry Webbook (http://webbook.nist.gov/chemistry)	10.18434/T4D303

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	P1	H3	93.300		H2	P1	H4	93.300
H3	P1	H4	93.300

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Experimental data for PH3+ (Phosphine cation)

Experimental data for PH₃⁺ (Phosphine cation)