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)	134.62	40.00	kJ mol-1	Gurvich
Hfg(0K)	135.28	40.00	kJ mol-1	Gurvich
Entropy (298.15K)	236.88		J K-1 mol-1	Gurvich
Integrated Heat Capacity (0 to 298.15K)	9.29		kJ mol-1	Gurvich
Heat Capacity (298.15K)	33.99		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	577	VEEL5

vibrational zero-point energy: 288.5 cm^-1
Calculated vibrational frequencies for PCl^- (phosphorus monochloride anion).

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

A	B	C	reference	comment
	0.25212		1985Min/Sai:4939

Calculated rotational constants for PCl^- (phosphorus monochloride anion).

Product of moments of inertia
66.86371	amu Å2		1.110315E-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
rPCl	2.018		1	2			1985Min/Sai:4939	from B0

Cartesians

Atom	x (Å)	y (Å)	z (Å)
P1	0.0000	0.0000	0.0000
Cl2	0.0000	0.0000	2.0176

Atom - Atom Distances
Distances in Å

	P1	Cl2
P1		2.0176
Cl2	2.0176

Calculated geometries for PCl^- (phosphorus monochloride anion).

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

Bond Type	Count
P-Cl	1

Connectivity

Atom 1	Atom 2
P1	Cl2

Electronic energy levels (cm^-1)

Energy (cm-1)	Degeneracy	reference	description
0	3	1979HUB/HER	3Σ
6500	2	Gurvich	1Σ

Dipole, Quadrupole and Polarizability
Electric dipole moment
Calculated electric dipole moments for PCl^- (phosphorus monochloride anion).
Electric quadrupole moment
Calculated electric quadrupole moments for PCl^- (phosphorus monochloride 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
1985Min/Sai:4939	Minowa, T.; Saito, S.; Hirota, E. "The microwave spectrum of the PCl radical." Journal of Chemical Physics. 83, 4939-4944 (1985)	10.1063/1.449754
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
VEEL5	M.E. Jacox, Vibrational and Electronic Energy Levels of Polyatomic Transient Molecules, J. Phys. Chem.Ref. Data, Monograph 3 (1994) (updated data in NIST Chemistry Webbook - http://webbook.nist.gov/chemistry/

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