CCCBDB listing of experimental data page 2

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Property	Value	Uncertainty	units	Reference	Comment
Hfg(298.15K)	-128.00		kJ mol^-1	webbook
Hfg(0K)			kJ 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	A'	3634		webbook
2	A'	3122
3	A'
4	A'
5	A'	1663
6	A'	1412
7	A'	1300
8	A'	1260
9	A'	1118
10	A'	948
11	A'	486
12	A"	960
13	A"	817
14	A"	699
15	A"	388

Description	Value	unc.	Connectivity				Reference	Comment
Description	Value	unc.	Atom 1	Atom 2	Atom 3	Atom 4	Reference	Comment
rCC	1.326	0.005	1	2			1987Kuchitsu(II/15)
rCO	1.372	0.004	2	3			1987Kuchitsu(II/15)
rCH	1.097	0.005	2	6			1987Kuchitsu(II/15)
rCH	1.079	0.004	1	5			1987Kuchitsu(II/15)
rCH	1.086	0.004	1	4			1987Kuchitsu(II/15)
rOH	0.960	0.003	3	7			1987Kuchitsu(II/15)
aCCO	126.2	0.5	1	2	3		1987Kuchitsu(II/15)
aHCC	129.1	1.1	1	2	6		1987Kuchitsu(II/15)
aHCC	121.7	0.4	2	1	4		1987Kuchitsu(II/15)
aHCC	119.5	0.5	2	1	5		1987Kuchitsu(II/15)
aHOC	108.3	0.3	2	3	7		1987Kuchitsu(II/15)

Bond Type	Count
C=C	1
C-O	1
H-C	3
H-O	1

Atom 1	Atom 2
C1	C2
C1	H4
C1	H5
C2	O3
C2	H6
O3	H7

	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	¹A^'	C_s	True							C_s	2	3

squib	reference	DOI
1987Kuchitsu(II/15)	Kuchitsu (ed.), Landolt-Bornstein: Group II: Atomic and Molecular Physics Volume 15: Structure Data of Free Polyatomic Molecules. Springer-Verlag, Berlin, 1987.
webbook	NIST Chemistry Webbook (http://webbook.nist.gov/chemistry)	10.18434/T4D303

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Experimental data for CH2CHOH (ethenol)

Experimental data for CH₂CHOH (ethenol)