CCCBDB listing of experimental data page 2

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Property	Value	Uncertainty	units	Reference
Hfg(298.15K)	253.55	33.50	kJ mol^-1	JANAF
Hfg(0K)	254.49	33.50	kJ mol^-1	JANAF
Entropy (298.15K)	196.34		J K^-1 mol^-1	JANAF
Integrated Heat Capacity (0 to 298.15K)	8.65		kJ mol^-1	JANAF
Heat Capacity (298.15K)	29.17		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	2276	2364	2007Iri:389

Description	Value	unc.	Connectivity				Reference	Comment
Description	Value	unc.	Atom 1	Atom 2	Atom 3	Atom 4	Reference	Comment
rPH	1.422		1	2			1979HUB/HER	re

Atom	x (Å)	y (Å)	z (Å)
H1	0.0000	0.0000	0.0000
P2	0.0000	0.0000	1.4223

	H1	P2
H1		1.4223
P2	1.4223

	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	3	1979HUB/HER	³Σ^-
7558	2	2005Erv/Lin:194303	¹Δ
14310	1	2005Erv/Lin:194303	¹Σ⁺

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	³Σ^-	C_∞v	True							C_∞v	1	1
2	1	¹Δ	C_∞v	True							C_∞v	1	1
3	1	¹Σ⁺	C_∞v	True							C_∞v	1	1

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
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
2005Erv/Lin:194303	KM Ervin, WC Lineberger "Photoelectron spectroscopy of phosphorus hydride anions" J. Chem. Phys. 122, 194303 (2005)	10.1063/1.1881153
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.
webbook	NIST Chemistry Webbook (http://webbook.nist.gov/chemistry)	10.18434/T4D303

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Experimental data for PH (phosphorus monohydride)