CCCBDB listing of experimental data page 2

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Property	Value	Uncertainty	units	Reference
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

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	547	551	1985Kan/Yam:4945

Description	Value	unc.	Connectivity				Reference	Comment
Description	Value	unc.	Atom 1	Atom 2	Atom 3	Atom 4	Reference	Comment
rPCl	2.018		1	2			1985Min/Sai:4939	from B0

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

	P1	Cl2
P1		2.0176
Cl2	2.0176

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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You are here: Experimental > One molecule all properties

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	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
1985Kan/Yam:4945	H Kanamori, C Yamada, JE Butler, K Kawaguchi, E Hirota "Infrared diode laser spectroscopy of the PCl radical" J. Chem. Phys. 83(10), 4945 (1985)	10.1063/1.449755
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

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Experimental data for PCl (phosphorus chloride)