CCCBDB listing of experimental data page 2

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Property	Value	Uncertainty	units	Reference
Hfg(298.15K)	-52.25	20.90	kJ mol^-1	JANAF
Hfg(0K)	-51.33	20.90	kJ mol^-1	JANAF
Entropy (298.15K)	224.97	0.04	J K^-1 mol^-1	JANAF
Integrated Heat Capacity (0 to 298.15K)	8.86		kJ mol^-1	JANAF
Heat Capacity (298.15K)	31.50		J K^-1 mol^-1	webbook

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	838	847	1992HAS/AND79

Description	Value	unc.	Connectivity				Reference	Comment
Description	Value	unc.	Atom 1	Atom 2	Atom 3	Atom 4	Reference	Comment
rFP	1.593		1	2			NISTdiatomic	r0

Atom	x (Å)	y (Å)	z (Å)
P1	0.0000	0.0000	0.0000
F2	0.0000	0.0000	1.5897

	P1	F2
P1		1.5897
F2	1.5897

	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	³Σ	C_∞v	True							C_∞v	1	1
2	1	¹Δ	C_∞v	True							C_∞v	1	1
3	1	¹Σ	C_∞v	True							C_∞v	1	1

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	10.1007/978-1-4757-0961-2
1992HAS/AND79	HASSANZADEH P, ANDREWS L,MATRIX REACTIONS OF SULFUR-ATOMS AND FLUORINE - INFRARED-SPECTRA OF SF, SF2, AND SF3 IN SOLID ARGON,J. Chem. Phys. 96, 79-84,1992	10.1021/j100180a018
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)	10.18434/T4T59X
webbook	NIST Chemistry Webbook (http://webbook.nist.gov/chemistry)	10.18434/T4D303

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Experimental data for PF (phosphorus monofluoride)