CCCBDB listing of experimental data page 2

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Property	Value	Uncertainty	units	Reference
Hfg(298.15K)		1.80	kJ mol^-1	2001Joe:11041
Hfg(0K)	-47.70	1.80	kJ mol^-1	2001Joe:11041
Entropy (298.15K)			J K^-1 mol^-1
Integrated Heat Capacity (0 to 298.15K)			kJ mol^-1

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'	3615		webbook					OH stretch
2	A'	1163		webbook					bend
3	A'	620		webbook					OBr stretch

Description	Value	unc.	Connectivity				Reference	Comment
Description	Value	unc.	Atom 1	Atom 2	Atom 3	Atom 4	Reference	Comment
rBrO	1.834		2	3			1989Kog/Tak:467	rs
rOH	0.961		1	2			1989Kog/Tak:467	rs
aHOBr	102.3		1	2	3		1989Kog/Tak:467	rs

Atom	x (Å)	y (Å)
H1	-0.9176	1.6589
O2	0.0213	1.4542
Br3	0.0213	-0.3798

	H1	O2	Br3
H1		0.9610	2.2445
O2	0.9610		1.8340
Br3	2.2445	1.8340

	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		1.384	0.000	1.384	1989Kog/Tak:467	MW μ₀ DO⁷⁹Br +-0.01 D μ_a < 0.01 D	C_s	2	3

squib	reference	DOI
1989Kog/Tak:467	Y Koga, H Takeo, S Kondo, M Sugie, C Matsumura, GA McRae, EA Cohen "The Rotational Spectra, Molecular Sturcture, Dipole Moment and Hyperfine Constants of HOBr and DOBr" J. Mol. Spec. 138, 467-481 (1989)	10.1016/0022-2852(89)90013-1
2001Joe:11041	J A Joens, "The Dissociation Energy of OH(X2Pi3/2) and the Enthalpy of formation of OH (X2Pi3/2), ClOH, and BrOH from Thermochemical Cycles" J. Phys. Chem. A 2001, 105, 11041-11044	10.1021/jp011833u
webbook	NIST Chemistry Webbook (http://webbook.nist.gov/chemistry)	10.18434/T4D303

Bond Type	Count
H-O	1
O-Br	1

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Experimental data for HOBr (Hypobromous acid)