CCCBDB listing of experimental data page 2

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Property	Value	Uncertainty	units	Reference
Hfg(298.15K)	299.00	5.00	kJ mol^-1	1996Tsang
Hfg(0K)		5.00	kJ mol^-1	1996Tsang
Entropy (298.15K)	232.84		J K^-1 mol^-1	1996Tsang
Integrated Heat Capacity (0 to 298.15K)	10.28		kJ mol^-1	1996Tsang

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	A'	3141		webbook
2	A'	2953		webbook
3	A'	2912		webbook
5	A'	1360		webbook
7	A'	674		webbook
8	A"	895		webbook
9	A"	857		webbook

Description	Value	unc.	Connectivity				Reference	Comment
Description	Value	unc.	Atom 1	Atom 2	Atom 3	Atom 4	Reference	Comment
rCC	1.316		1	2			1998Kuc
rCH	1.085		2	4			1998Kuc	r0 values assumed
rCH	1.080		1	3			1998Kuc	!assumed
aHCC	137.3		2	1	3		1998Kuc
aHCC	121.5		1	2	4		1998Kuc

Atom	x (Å)	y (Å)
C1	0.0488	0.7245
C2	0.0488	-0.5915
H3	-0.6836	1.5182
H4	-0.8763	-1.1584
H5	0.9739	-1.1584

	C1	C2	H3	H4	H5
C1		1.3160	1.0800	2.0979	2.0979
C2	1.3160		2.2332	1.0850	1.0850
H3	1.0800	2.2332		2.6835	3.1483
H4	2.0979	1.0850	2.6835		1.8502
H5	2.0979	1.0850	3.1483	1.8502

	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	²A^'	C_s	True							C_s	2	3

squib	reference	DOI
1990Kan/End:197	Kanamori, H.; Endo, Y.; Hirota, E. "The vinyl radical investigated by infrared diode laser kindetic spectroscopy." Journal of Chemical Physics. 92, 197-205 (1990)	10.1063/1.458462
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
1998Kuc	K Kuchitsu(ed) "Structure of Free Polyatomic Molecules - Basic Data" Springer, Berlin, 1998	10.1007/978-3-642-45748-7
webbook	NIST Chemistry Webbook (http://webbook.nist.gov/chemistry)	10.18434/T4D303

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	H4	121.500		C1	C2	H5	121.500
C2	C1	H3	137.300		H4	C2	H5	117.000

Bond Type	Count
H-C	3
C=C	1

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Experimental data for C2H3- (vinyl anion)

Experimental data for C₂H₃^- (vinyl anion)