Enthalpy of formation (Hfg), Entropy, Integrated heat capacity (0 K to 298.15 K) (HH), Heat Capacity (Cp)

Property	Value	Uncertainty	units	Reference	Comment
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

Information can also be found for this species in the NIST Chemistry Webbook

Vibrational levels (cm^-1)

Mode Number	Symmetry	Frequency (cm-1)	Frequency Reference	Intensity (km mol-1)	Int. unc.	Intensity Reference	Comment
1	Σ	302	webbook				omega e

vibrational zero-point energy: 151.1 cm^-1
Calculated vibrational frequencies for NaBr^- (sodium bromide anion).

Rotational Constants (cm^-1)
See section I.F.4 to change rotational constant units

A	B	C	reference	comment
	0.15125	0.15125	webbook	Be

Calculated rotational constants for NaBr^- (sodium bromide anion).

Product of moments of inertia
111.453	amu Å2		1.850749E-38	gm cm2

Geometric Data

Point Group C_∞v

Internal coordinates
distances (r) in Å, angles (a) in degrees, dihedrals (d) in degrees

Description	Value	unc.	Connectivity				Reference	Comment
			Atom 1	Atom 2	Atom 3	Atom 4
rNaBr	2.502	0.000	1	2			NISTdiatomic

Cartesians

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

Atom - Atom Distances
Distances in Å

	Na1	Br2
Na1		2.5020
Br2	2.5020

Calculated geometries for NaBr^- (sodium bromide anion).

Bond descriptions
Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond

Bond Type	Count
Na-Br	1

Connectivity

Atom 1	Atom 2
Na1	Br2

Electronic energy levels (cm^-1)

Energy (cm-1)	Degeneracy	reference	description
0	1		1Σ

Ionization Energies (eV)

Ionization Energy	I.E. unc.	vertical I.E.	v.I.E. unc.	Electron Affinity	E.A. unc.	reference
8.300	0.100			0.788	0.010	webbook

Dipole, Quadrupole and Polarizability
Electric dipole moment

Dipole (Debye)	Reference	comment
9.118	NISTdiatomic	mu 0

Calculated electric dipole moments for NaBr^- (sodium bromide anion).
Electric quadrupole moment
Calculated electric quadrupole moments for NaBr^- (sodium bromide anion).

References
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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)
webbook	NIST Chemistry Webbook (http://webbook.nist.gov/chemistry)

Got a better number? Please email us at cccbdb@nist.gov