CCCBDB listing of experimental data page 2

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Property	Value	units	Reference
Hfg(298.15K)	-146.02	kJ mol^-1	webbook
Hfg(0K)		kJ mol^-1	webbook
Entropy (298.15K)	348.22	J K^-1 mol^-1	webbook
Heat Capacity (298.15K)	75.94	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	380		1945Herzberg
2	A₁	162
3	E	400
4	E	116

Description	Value	unc.	Connectivity				Reference	Comment
Description	Value	unc.	Atom 1	Atom 2	Atom 3	Atom 4	Reference	Comment
rPBr	2.220	0.003	1	2			1976Hellwege(II/7)
aBrPBr	101	0.4	2	1	3		1976Hellwege(II/7)

Atom	x (Å)	y (Å)	z (Å)
P1	0.0000	0.0000	0.8819
Br2	0.0000	1.9780	-0.1260
Br3	1.7130	-0.9890	-0.1260
Br4	-1.7130	-0.9890	-0.1260

	P1	Br2	Br3	Br4
P1		2.2200	2.2200	2.2200
Br2	2.2200		3.4261	3.4261
Br3	2.2200	3.4261		3.4261
Br4	2.2200	3.4261	3.4261

	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				0.610	1954Kis:86		C_3v	1	1

squib	reference	DOI
1945Herzberg	G Herzberg" Molecular Spectra and Molecular Structure II. Infrared and Raman Spectra of polyatomic molecules" 1945 Van Nostrand.
1954Kis:86	P Kisluk "Dipole Moments, Nuclear Quadrupole Coupling, and the Bonding Orbitals in Group V - Trihalides" Journal of Chemical Physics 22(1) p86 1954	10.1063/1.1739863
1971Kuc/Shi:2584	K Kuchitsu, T Shibata, A Yokozeki, C Matsumura "Molecular Structure of Phosphorus Tribromide as Studied by Gas Electron Diffraction and Microwave Spectroscopy" Inorganic Chemistry 10(11) p 2584 1971	10.1021/ic50105a042
1976Hellwege(II/7)	Hellwege, KH and AM Hellwege (ed.). Landolt-Bornstein: Group II: Atomic and Molecular Physics Volume 7: Structure Data of Free Polyatomic Molecules. Springer-Verlag. Berlin. 1976.
1998Gus/Rui:163	M Gussoni, R Rui, G Zerbi "Electronic and relaxation contribution to linear molecular polarizability. An analysis of the experimental values" J. Mol. Struct. 447 (1998) 163-215	10.1016/S0022-2860(97)00292-5
webbook	NIST Chemistry Webbook (http://webbook.nist.gov/chemistry)	10.18434/T4D303

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br2	P1	Br3	101.002		Br2	P1	Br4	101.002
Br3	P1	Br4	101.002

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Experimental data for PBr3 (Phosphorus tribromide)

Experimental data for PBr₃ (Phosphorus tribromide)