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)	-290.45	2.10	kJ mol-1	JANAF
Hfg(0K)	-288.82	2.10	kJ mol-1	JANAF
Entropy (298.15K)	217.61	0.01	J K-1 mol-1	JANAF
Integrated Heat Capacity (0 to 298.15K)	9.23		kJ mol-1	JANAF
Heat Capacity (298.15K)	34.22		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	536	2007Iri:389

Detailed diatomic data

ωe	ωexe	ωeye	Be	αe	ZPE	reference
535.658	3.57523	0.018453	0.4369015	4.559178E-03	267.1154	2007Iri:389

vibrational zero-point energy: 267.8 cm^-1
Calculated vibrational frequencies for NaF^- (sodium fluoride anion).

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

A	B	C	reference	comment
	0.43690		2007Iri:389

Calculated rotational constants for NaF^- (sodium fluoride anion).

Product of moments of inertia
38.58451	amu Å2		6.407209E-39	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
rNaF	1.926	0.000	1	2			NISTDiatiomic

Cartesians

Atom	x (Å)	y (Å)	z (Å)
Na1	0.0000	0.0000	0.0000
F2	0.0000	0.0000	1.9259

Atom - Atom Distances
Distances in Å

	Na1	F2
Na1		1.9259
F2	1.9259

Calculated geometries for NaF^- (sodium fluoride anion).

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

Bond Type	Count
F-Na	1

Connectivity

Atom 1	Atom 2
Na1	F2

Electronic energy levels (cm^-1)

Energy (cm-1)	Degeneracy	reference	description
0	1	1979HUB/HER	1Σ

Ionization Energies (eV)

Ionization Energy	I.E. unc.	vertical I.E.	v.I.E. unc.	Electron Affinity	E.A. unc.	reference
				0.520	0.010	webbook

Dipole, Quadrupole and Polarizability
Electric dipole moment

Dipole (Debye)	Reference	comment
8.160	NSRDS-NBS10

Calculated electric dipole moments for NaF^- (sodium fluoride anion).
Electric quadrupole moment

Quadrupole (D Å)			Reference	comment
xx	yy	zz
0.985	0.985	-1.969	1974Hel/Hel(II/6)	-1.969317079+_0.720481858

Calculated electric quadrupole moments for NaF^- (sodium fluoride anion).

References
By selecting the following links, you may be leaving NIST webspace. We have provided these links to other web sites because they may have information that would be of interest to you. No inferences should be drawn on account of other sites being referenced, or not, from this page. There may be other web sites that are more appropriate for your purpose. NIST does not necessarily endorse the views expressed, or concur with the facts presented on these sites. Further, NIST does not endorse any commercial products that may be mentioned on these sites. Please address comments about this page to cccbdb@nist.gov.

squib	reference	DOI
1974Hel/Hel(II/6)	Hellwege, KH and AM Hellwege (eds.). Landolt-Bornstein: Group II: Volume 6 Molecular Constants from Microwave, Molecular Beam, and Electron Spin Resonance Spectroscopy Springer-Verlag. Berlin. 1974.
1979HUB/HER	Huber, K.P.; Herzberg, G., Molecular Spectra and Molecular Structure. IV. Constants of Diatomic Molecules,, Van Nostrand Reinhold Co., 1979
2007Iri:389	KK Irikura "Experimental Vibrational Zero-Point Energies: Diatomic Molecules" J. Phys. Chem. Ref. Data 36(2), 389, 2007	10.1063/1.2436891
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.
NSRDS-NBS10	R. D. Nelson Jr., D. R. Lide, A. A. Maryott "Selected Values of electric dipole moments for molecules in the gas phase" NSRDS-NBS10, 1967
webbook	NIST Chemistry Webbook (http://webbook.nist.gov/chemistry)

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