CCCBDB listing of experimental data page 2

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Property	Value	units	Reference
Hfg(298.15K)	-143.93	kJ mol^-1	webbook
Hfg(0K)		kJ mol^-1	webbook
Entropy (298.15K)	241.22	J K^-1 mol^-1	webbook
Heat Capacity (298.15K)	36.32	J K^-1 mol^-1	JANAF

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	299	302	webbook				omega e

Description	Value	unc.	Connectivity				Reference	Comment
Description	Value	unc.	Atom 1	Atom 2	Atom 3	Atom 4	Reference	Comment
rNaBr	2.502	0.000	1	2			NISTdiatomic	re 23Na 79Br

Atom	x (Å)	y (Å)	z (Å)
Na1	0.0000	0.0000	0.0000
Br2	0.0000	0.0000	2.5020

	Na1	Br2
Na1		2.5020
Br2	2.5020

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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You are here: Experimental > One molecule all properties

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	¹Σ	C_∞v	True			9.092	9.092	NISTdiatomic	μ_e	C_∞v	1	1

squib	reference	DOI
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.
NISTdiatomic	NIST Diatomic Spectral Database (www.physics.nist.gov/PhysRefData/MolSpec/Diatomic/index.html)	10.18434/T4T59X
webbook	NIST Chemistry Webbook (http://webbook.nist.gov/chemistry)	10.18434/T4D303

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Experimental data for NaBr+ (sodium bromide cation)

Experimental data for NaBr⁺ (sodium bromide cation)