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)	-265.68	3.35	kJ mol-1	JANAF
Hfg(0K)	-265.62	3.35	kJ mol-1	JANAF
Entropy (298.15K)	215.16	0.04	J K-1 mol-1	JANAF
Integrated Heat Capacity (0 to 298.15K)	8.89		kJ mol-1	JANAF
Heat Capacity (298.15K)	31.80		J K-1 mol-1	webbook

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	802	1979HUB/HER

Detailed diatomic data

ωe	ωexe	ωeye	Be	αe	ZPE	reference
802.3245	4.849915	0.0195738	0.5524802	4.984261E-03	400.1396	2007Iri:389

vibrational zero-point energy: 401.1 cm^-1
Calculated vibrational frequencies for AlF^- (Aluminum monofluoride anion).

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

A	B	C	reference	comment
	0.55248		1979HUB/HER

Calculated rotational constants for AlF^- (Aluminum monofluoride anion).

Product of moments of inertia
30.51266	amu Å2		5.066826E-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
rAlF	1.654	0.000	1	2			NISTdiatomic

Cartesians

Atom	x (Å)	y (Å)	z (Å)
Al1	0.0000	0.0000	0.0000
F2	0.0000	0.0000	1.6544

Atom - Atom Distances
Distances in Å

	Al1	F2
Al1		1.6544
F2	1.6544

Calculated geometries for AlF^- (Aluminum monofluoride anion).

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

Bond Type	Count
F-Al	1

Connectivity

Atom 1	Atom 2
Al1	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
9.730	0.010					webbook

Dipole, Quadrupole and Polarizability
Electric dipole moment

Dipole (Debye)	Reference	comment
1.530	NISTdiatomic

Calculated electric dipole moments for AlF^- (Aluminum monofluoride anion).
Electric quadrupole moment
Calculated electric quadrupole moments for AlF^- (Aluminum monofluoride anion).

References
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squib	reference	DOI
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.
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