CCCBDB listing of experimental data page 2

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Property	Value	Uncertainty	units	Reference
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

Mode Number	Symmetry	Frequency			Intensity			Comment	Description
Mode Number	Symmetry	Fundamental(cm^-1)	Harmonic(cm^-1)	Reference	(km mol^-1)	unc.	Reference	Comment	Description
1	Σ	1323	1337	2007Iri:389

Description	Value	unc.	Connectivity				Reference	Comment
Description	Value	unc.	Atom 1	Atom 2	Atom 3	Atom 4	Reference	Comment
rPN	1.491		1	2			1979HUB/HER	re

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

	N1	P2
N1		1.4909
P2	1.4909

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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State	Config	State description	Conf description	Exp. min.	Dipole (Debye)				Reference	comment	Point Group	Components
State	Config	State description	Conf description	Exp. min.	x	y	z	total	Reference	comment	Point Group	dipole	quadrupole
1	1	¹Σ	C_∞v	True			2.751	2.751	NISTdiatomic	MW +-0.0008 μ_e	C_∞v	1	1

Vibrational Quantum numbers	Dip total	Squib	Comment
eq	2.751	1974Hel/Hel(II/6)
0	2.747	1974Hel/Hel(II/6)	±0.0001
1	2.739	1974Hel/Hel(II/6)	±0.0001
2	2.730	1974Hel/Hel(II/6)	±0.0001

squib	reference	DOI
1974Hel/Hel(II/6)	Hellwege, KH and AM Hellwege (eds.). Landolt-Bornstein: Group II: Volume 6 Molecular Constants from Microwave, Molecular Beam, and Electron Spin Resonance Spectroscopy Springer-Verlag. Berlin. 1974.	10.1007/b19951
1979HUB/HER	Huber, K.P.; Herzberg, G., Molecular Spectra and Molecular Structure. IV. Constants of Diatomic Molecules, Van Nostrand Reinhold Co., 1979	10.1007/978-1-4757-0961-2
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
NISTdiatomic	NIST Diatomic Spectral Database (www.physics.nist.gov/PhysRefData/MolSpec/Diatomic/index.html)	10.18434/T4T59X
webbook	NIST Chemistry Webbook (http://webbook.nist.gov/chemistry)	10.18434/T4D303

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Experimental data for PN+ (phosphorus nitride cation)

Experimental data for PN⁺ (phosphorus nitride cation)