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)	120.66	30.00	kJ mol-1	Gurvich
Hfg(0K)	120.84	30.00	kJ mol-1	Gurvich
Entropy (298.15K)	225.45		J K-1 mol-1	Gurvich
Integrated Heat Capacity (0 to 298.15K)	9.23		kJ mol-1	Gurvich
Heat Capacity (298.15K)	34.24		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	529	1979HUB/HER

Detailed diatomic data

ωe	ωexe	ωeye	Be	αe	ZPE	reference
528.74	2.704		0.26797	0.00176	263.6869	2007Iri:389

vibrational zero-point energy: 264.4 cm^-1
Calculated vibrational frequencies for MgS^- (magnesium sulfide anion).

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

A	B	C	reference	comment
	0.26797		1979HUB/HER

Calculated rotational constants for MgS^- (magnesium sulfide anion).

Product of moments of inertia
62.90865	amu Å2		1.044639E-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
rMgS	2.143		1	2			1979HUB/HER

Cartesians

Atom	x (Å)	y (Å)	z (Å)
Mg1	0.0000	0.0000	0.0000
S2	0.0000	0.0000	2.1425

Atom - Atom Distances
Distances in Å

	Mg1	S2
Mg1		2.1425
S2	2.1425

Calculated geometries for MgS^- (magnesium sulfide anion).

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

Bond Type	Count
Mg-S	1

Connectivity

Atom 1	Atom 2
Mg1	S2

Electronic energy levels (cm^-1)

Energy (cm-1)	Degeneracy	reference	description
0	1	1979HUB/HER	1Σ
23052.59	1	Gurvich

Dipole, Quadrupole and Polarizability
Electric dipole moment
Calculated electric dipole moments for MgS^- (magnesium sulfide anion).
Electric quadrupole moment
Calculated electric quadrupole moments for MgS^- (magnesium sulfide 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
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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