CCCBDB listing of experimental data page 2

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Property	Value	Uncertainty	units	Reference
Hfg(298.15K)	339.00	4.00	kJ mol^-1	1996Tsang
Hfg(0K)		4.00	kJ mol^-1	1996Tsang
Entropy (298.15K)			J K^-1 mol^-1
Integrated Heat Capacity (0 to 298.15K)			kJ mol^-1
Heat Capacity (298.15K)	62.64		J K^-1 mol^-1	TRC

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	3322
6	B₁	687
7	B₁	490

Bond Type	Count
H-C	3
C=C	2

Atom 1	Atom 2
C1	C2
C1	H4
C1	H5
C2	C3
C3	H6

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	²B₁	C_2v	True							C_2v	1	2

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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squib	reference	DOI
1995Tan/Har:6450	Tanaka, K.; Harada, T. "Time-resolved diode laser sp[ectroscopy of the (nu)6 band of propargyl produced by the UV photolysis of allene." Journal of Chemical Physics. 103, 6450-6458 (1995)	10.1063/1.470422
1996Tsang	Tsang,W. in "Energetics of Organic Free Radicals", ed. Martinho Simoes, J.A.; Greenberg, A.; Liebman, J.F, Blackie Academic and Professional, London, 1996	10.1007/978-94-009-0099-8
TRC	Frenkel, M; Marsh, K.N.; Wilhoit, R.C.; Kabo, G.J.; Roganov, G.N.,Thermodynamics of Organic Compounds in the Gas State,Thermodynamics Research Center, College Station, TX, 1994
webbook	NIST Chemistry Webbook (http://webbook.nist.gov/chemistry)	10.18434/T4D303

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Experimental data for C3H3- (Propargyl anion)

Experimental data for C₃H₃^- (Propargyl anion)