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)	-195.72	12.60	kJ mol-1	JANAF
Hfg(0K)	-195.57	12.60	kJ mol-1	JANAF
Entropy (298.15K)	212.92		J K-1 mol-1	JANAF
Integrated Heat Capacity (0 to 298.15K)	9.06		kJ mol-1	JANAF
Heat Capacity (298.15K)	33.24		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	643	2007Iri:389

Detailed diatomic data

ωe	ωexe	ωeye	Be	αe	ZPE	reference
642.9545	4.47253	0.020118	0.7065225	8.01019E-03	320.5499	2007Iri:389

vibrational zero-point energy: 321.5 cm^-1
Calculated vibrational frequencies for LiCl^- (lithium chloride anion).

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

A	B	C	reference	comment
	0.70652		2007Iri:389

Calculated rotational constants for LiCl^- (lithium chloride anion).

Product of moments of inertia
23.86	amu Å2		3.962108E-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
rLiCl	2.021	0.000	1	2			NISTdiatomic	Li(7)Cl(35)

Cartesians

Atom	x (Å)	y (Å)	z (Å)
Li1	0.0000	0.0000	0.0000
Cl2	0.0000	0.0000	2.0207

Atom - Atom Distances
Distances in Å

	Li1	Cl2
Li1		2.0207
Cl2	2.0207

Calculated geometries for LiCl^- (lithium chloride anion).

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

Bond Type	Count
Li-Cl	1

Connectivity

Atom 1	Atom 2
Li1	Cl2

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
9.570		10.010	0.020	0.593	0.010	webbook

Dipole, Quadrupole and Polarizability
Electric dipole moment

Dipole (Debye)	Reference	comment
7.130	NSRDS-NBS10

Calculated electric dipole moments for LiCl^- (lithium chloride anion).
Electric quadrupole moment
Calculated electric quadrupole moments for LiCl^- (lithium chloride 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
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)
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