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)	438.80	40.00	kJ mol-1	Gurvich
Hfg(0K)	438.40	40.00	kJ mol-1	Gurvich
Entropy (298.15K)	228.43		J K-1 mol-1	Gurvich
Integrated Heat Capacity (0 to 298.15K)	9.27		kJ mol-1	Gurvich
Heat Capacity (298.15K)	32.42		J K-1 mol-1	Gurvich

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	747	1979HUB/HER				fundamental

vibrational zero-point energy: 373.5 cm^-1
Calculated vibrational frequencies for AlN^- (aluminum mononitride anion).

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

A	B	C	reference	comment
	0.57300	0.57300	1979HUB/HER

Calculated rotational constants for AlN^- (aluminum mononitride anion).

Product of moments of inertia
29.41995	amu Å2		4.885373E-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
rNAl	1.786		1	2			1979HUB/HER	re

Cartesians

Atom	x (Å)	y (Å)	z (Å)
Al1	0.0000	0.0000	0.0000
N2	0.0000	0.0000	1.7864

Atom - Atom Distances
Distances in Å

	Al1	N2
Al1		1.7864
N2	1.7864

Calculated geometries for AlN^- (aluminum mononitride anion).

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

Bond Type	Count
N#Al	1

Connectivity

Atom 1	Atom 2
Al1	N2

Electronic energy levels (cm^-1)

Energy (cm-1)	Degeneracy	reference	description
0	3		3Πi

Dipole, Quadrupole and Polarizability
Electric dipole moment
Calculated electric dipole moments for AlN^- (aluminum mononitride anion).
Electric quadrupole moment
Calculated electric quadrupole moments for AlN^- (aluminum mononitride 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
Gurvich	Gurvich, L.V.; Veyts, I. V.; Alcock, C. B., Thermodynamic Properties of Individual Substances, Fouth Edition, Hemisphere Pub. Co., New York, 1989	10.1351/pac198961061027

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