CCCBDB listing of experimental data page 2

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Property	Value	Uncertainty	units	Reference
Hfg(298.15K)	58.90	0.30	kJ mol^-1	CODATA
Hfg(0K)	66.24	0.30	kJ mol^-1	CODATA
Entropy (298.15K)	280.01	0.50	J K^-1 mol^-1	CODATA
Integrated Heat Capacity (0 to 298.15K)	14.10	0.20	kJ mol^-1	CODATA
Heat Capacity (298.15K)	67.08		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	A₁	601		1993EDW
2	E	361		1993EDW
3	T₂	467		1993EDW

Description	Value	unc.	Connectivity				Reference	Comment
Description	Value	unc.	Atom 1	Atom 2	Atom 3	Atom 4	Reference	Comment
rPP	2.210		1	2			1935Max/Hen:699
aPPP	60		1	2	3		1935Max/Hen:699

Atom	x (Å)	y (Å)	z (Å)
P1	0.0000	0.0000	1.3533
P2	1.2759	0.0000	-0.4511
P3	-0.6380	-1.1050	-0.4511
P4	-0.6380	1.1050	-0.4511

	P1	P2	P3	P4
P1		2.2099	2.2099	2.2099
P2	2.2099		2.2099	2.2099
P3	2.2099	2.2099		2.2099
P4	2.2099	2.2099	2.2099

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	P2	P3	60.000	P1	P2	P4	60.000
P1	P3	P2	60.000	P1	P3	P4	60.000
P1	P4	P2	60.000	P1	P4	P3	60.000
P2	P1	P3	60.000	P2	P1	P4	60.000
P2	P3	P4	60.000	P2	P4	P3	60.000
P3	P1	P4	60.000	P3	P2	P4	60.000

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	¹A₁	T_d	True				0.000	NSRDS-NBS10		T_d	0	0

squib	reference	DOI
1935Max/Hen:699	LR Maxwell, SB Hendricks, VM Mosley "Electron Diffraction by Gases" J. Chem. Phys. 3, 699, 1935	10.1063/1.1749580
1993EDW	Edwards, H. G. M., J. Mol. Struct. 295, 95, 1993	10.1016/0022-2860(93)85009-J
2015Tha/Wu:144302	AJ Thakkar, T Wu "How well do static electronic dipole polarizabilities from gas-phase experiments compare with density functional and MP2 computations?" J. Chem. Phys. 143, 144302 (2015)	10.1063/1.4932594
CODATA	Cox, J.D.; Wagman, D.D.; Medvedev, V.A.CODATA Key Values for Thermodynamics. Hemisphere, New York, 1989	10.1002/bbpc.19900940121
Gurvich	Gurvich, L.V.; Veyts, I. V.; Alcock, C. B., Thermodynamic Properties of Individual Substances, Fouth Edition, Hemisphere Pub. Co., New York, 1989
NSRDS-NBS10	R. D. Nelson Jr., D. R. Lide, A. A. Maryott "Selected Values of electric dipole moments for molecules in the gas phase" NSRDS-NBS10, 1967	10.6028/NBS.NSRDS.10
webbook	NIST Chemistry Webbook (http://webbook.nist.gov/chemistry)	10.18434/T4D303

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Experimental data for P4 (Phosphorus tetramer)

Experimental data for P₄ (Phosphorus tetramer)