CCCBDB listing of experimental data page 2

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Property	Value	Uncertainty	units	Reference
Hfg(298.15K)	42.00	5.00	kJ mol^-1	Gurvich
Hfg(0K)	41.63	5.00	kJ mol^-1	Gurvich
Entropy (298.15K)	224.34		J K^-1 mol^-1	Gurvich
Integrated Heat Capacity (0 to 298.15K)	9.99		kJ mol^-1	Gurvich
Heat Capacity (298.15K)	34.59		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	A'	2434		VEEL5					CH stretch
2	A'	1868		VEEL5					CO stretch
3	A'	1081		VEEL5					HCO bend

Description	Value	unc.	Connectivity				Reference	Comment
Description	Value	unc.	Atom 1	Atom 2	Atom 3	Atom 4	Reference	Comment
rCH	1.080		1	2			1966Herzberg
rCO	1.198		1	3			1966Herzberg
aHCO	119.5		2	1	3		1966Herzberg

Atom	x (Å)	y (Å)
C1	0.0000	0.0000
H2	1.0800	0.0000
O3	-0.5899	1.0427

	C1	H2	O3
C1		1.0800	1.1980
H2	1.0800		1.9687
O3	1.1980	1.9687

	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
1966Herzberg	Herzberg, G., Electronic spectra and electronic structure of polyatomic molecules,Van Nostrand,New York, 1966
Gurvich	Gurvich, L.V.; Veyts, I. V.; Alcock, C. B., Thermodynamic Properties of Individual Substances, Fouth Edition, Hemisphere Pub. Co., New York, 1989
VEEL5	M.E. Jacox, Vibrational and Electronic Energy Levels of Polyatomic Transient Molecules, J. Phys. Chem.Ref. Data, Monograph 3 (1994) (updated data in NIST Chemistry Webbook - http://webbook.nist.gov/chemistry/
webbook	NIST Chemistry Webbook (http://webbook.nist.gov/chemistry)	10.18434/T4D303

Bond Type	Count
H-C	1
C=O	1

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Experimental data for HCO (Formyl radical)