CCCBDB listing of experimental data page 2

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Property	Value	Uncertainty	units	Reference	Comment
Hfg(298.15K)	212.20	20.00	kJ mol^-1	JANAF	Hfg adjusted from JANAF using modern values for Hfg(CP)
Hfg(0K)	213.50	20.00	kJ mol^-1	JANAF	Hfg adjusted from JANAF using modern values for Hfg(CP)
Entropy (298.15K)	215.06	0.04	J K^-1 mol^-1	JANAF
Integrated Heat Capacity (0 to 298.15K)	9.35		kJ mol^-1	JANAF
Heat Capacity (298.15K)	37.15		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	3217		1966Herzberg
2	Σ	1278		1966Herzberg
3	Π	674		1966Herzberg

Description	Value	unc.	Connectivity				Reference	Comment
Description	Value	unc.	Atom 1	Atom 2	Atom 3	Atom 4	Reference	Comment
rCH	1.067		1	2			1966Herzberg
rCP	1.542		1	3			1966Herzberg
aHCP	180		2	1	3		1966Herzberg

Atom	x (Å)	y (Å)	z (Å)
C1	0.0000	0.0000	0.0000
H2	0.0000	0.0000	1.0670
P3	0.0000	0.0000	-1.5420

	C1	H2	P3
C1		1.0670	1.5420
H2	1.0670		2.6090
P3	1.5420	2.6090

	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				0.390	NSRDS-NBS10	MW	C_∞v	1	1

squib	reference	DOI
1966Herzberg	Herzberg, G., Electronic spectra and electronic structure of polyatomic molecules,Van Nostrand,New York, 1966
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.
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

Bond Type	Count
H-C	1
C#P	1

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Experimental data for HCP (Phosphaethyne)