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)	171.49	15.00	kJ mol-1	Gurvich
Hfg(0K)	172.48	15.00	kJ mol-1	Gurvich
Entropy (298.15K)	211.13		J K-1 mol-1	Gurvich
Integrated Heat Capacity (0 to 298.15K)	8.70		kJ mol-1	Gurvich
Heat Capacity (298.15K)	29.69		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	1337	2007Iri:389

Detailed diatomic data

ωe	ωexe	ωeye	Be	αe	ZPE	reference
1336.948	6.8958	-0.00605	0.7864844	0.0055337	666.7872	2007Iri:389

vibrational zero-point energy: 668.5 cm^-1
Calculated vibrational frequencies for PN^- (phosphorus nitride anion).

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

A	B	C	reference	comment
	0.78648		2007Iri:389

Calculated rotational constants for PN^- (phosphorus nitride anion).

Product of moments of inertia
21.43416	amu Å2		3.559281E-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
rPN	1.491		1	2			1979HUB/HER

Cartesians

Atom	x (Å)	y (Å)	z (Å)
N1	0.0000	0.0000	1.4909
P2	0.0000	0.0000	0.0000

Atom - Atom Distances
Distances in Å

	N1	P2
N1		1.4909
P2	1.4909

Calculated geometries for PN^- (phosphorus nitride anion).

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

Bond Type	Count
N#P	1

Connectivity

Atom 1	Atom 2
N1	P2

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
11.880	0.010					webbook

Dipole, Quadrupole and Polarizability
Electric dipole moment

Dipole (Debye)	Reference	comment
2.751	NISTdiatomic

Calculated electric dipole moments for PN^- (phosphorus nitride anion).
Electric quadrupole moment
Calculated electric quadrupole moments for PN^- (phosphorus nitride 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
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