CCCBDB listing of experimental data page 2

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Property	Value	units	Reference
Hfg(298.15K)	-204.18	kJ mol^-1	webbook
Hfg(0K)		kJ mol^-1	webbook
Entropy (298.15K)	324.19	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'	279		1972Cla/Mit:2225
2	A₂"	377
3	E'	816
4	E'	151

Description	Value	unc.	Connectivity				Reference	Comment
Description	Value	unc.	Atom 1	Atom 2	Atom 3	Atom 4	Reference	Comment
rBBr	1.893	0.005	1	2			1976Hellwege(II/7)

Atom	x (Å)	y (Å)
B1	0.0000	0.0000
Br2	0.0000	1.8932
Br3	1.6396	-0.9466
Br4	-1.6396	-0.9466

	B1	Br2	Br3	Br4
B1		1.8932	1.8932	1.8932
Br2	1.8932		3.2791	3.2791
Br3	1.8932	3.2791		3.2792
Br4	1.8932	3.2791	3.2792

	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^'	D_3h	True							D_3h	0	1

squib	reference	DOI
1972Cla/Mit:2225	RJH Clark, PD Mitchell "Raman Spectra and Factor Group Analyses of Crystalline Born Trihalides" Journal of Cehmical Physics 56(5) 2225, 1972	10.1063/1.1677524
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.
2015Tha/Wu:144302	AJ Thakkar, T Wu "How well do static electronic dipole polarizabilities from gas-phase experiments compare with density functional and MP2 computations?" J. Chem. Phys. 143, 144302 (2015)	10.1063/1.4932594
webbook	NIST Chemistry Webbook (http://webbook.nist.gov/chemistry)	10.18434/T4D303

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br2	B1	Br3	119.999		Br2	B1	Br4	119.999
Br3	B1	Br4	120.001

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Experimental data for BBr3 (Boron tribromide)

Experimental data for BBr₃ (Boron tribromide)