CCCBDB listing of experimental data page 2

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Property	Value	units	Reference
Hfg(298.15K)	40.88	kJ mol^-1	webbook
Hfg(0K)		kJ mol^-1	webbook
Entropy (298.15K)	258.95	J K^-1 mol^-1	webbook

Description	Value	unc.	Connectivity				Reference	Comment
Description	Value	unc.	Atom 1	Atom 2	Atom 3	Atom 4	Reference	Comment
rBrI	2.469	0.000	1	2			NISTDiatomic	re 127I 79Br

Atom	x (Å)	y (Å)	z (Å)
I1	0.0000	0.0000	0.0000
Br2	0.0000	0.0000	2.4690

	I1	Br2
I1		2.4690
Br2	2.4690

squib	reference	DOI
NISTdiatomic	NIST Diatomic Spectral Database (www.physics.nist.gov/PhysRefData/MolSpec/Diatomic/index.html)
webbook	NIST Chemistry Webbook (http://webbook.nist.gov/chemistry)

	Computational Chemistry Comparison and Benchmark DataBase Release 18 (October 2016) Standard Reference Database 101 National Institute of Standards and Technology
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Experimental data for IBr (Iodine monobromide)