CCCBDB listing of experimental data page 2

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Property	Value	units	Reference
Hfg(298.15K)	-376.56	kJ mol^-1	webbook
Hfg(0K)		kJ mol^-1	webbook
Entropy (298.15K)	246.52	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	A'	2981		1994Xu/Joh:147					CH stretch
2	A'	1837							CO stretch
3	A'	1342							CH bend
4	A'	1065							CF str
5	A'	663							FCO bend
6	A"	1011							CH out-of-plane bend

Description	Value	unc.	Connectivity				Reference	Comment
Description	Value	unc.	Atom 1	Atom 2	Atom 3	Atom 4	Reference	Comment
rCF	1.338	0.005	1	3			1976Hellwege(II/7)
rCO	1.181	0.005	1	2			1976Hellwege(II/7)
rCH	1.095	0.010	1	4			1976Hellwege(II/7)
aFCO	122.8	0.5	2	1	3		1976Hellwege(II/7)
aHCO	127.3	3	2	1	4		1976Hellwege(II/7)
aHCF	109.9	3	3	1	4		1976Hellwege(II/7)

Atom	x (Å)	y (Å)
C1	0.0000	0.3968
O2	1.1472	0.1164
F3	-0.9711	-0.5236
H4	-0.4378	1.4005

	C1	O2	F3	H4
C1		1.1810	1.3380	1.0950
O2	1.1810		2.2129	2.0399
F3	1.3380	2.2129		1.9967
H4	1.0950	2.0399	1.9967

	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	0.586	1.997		2.081	1994Xu/Joh:147	μ_a=0.586, μ_b - 1.997 D	C_s	2	3

squib	reference	DOI
1961Mil/Cur:1847	RF Miller, RF Curl, Jr. "Microwave Spectrum of O18 Formyl Fluoride and the Structure of Formyl Fluoride" J. Chem. Phys. 34, 1847, 1961	10.1063/1.1701095
1976Hellwege(II/7)	Hellwege, KH and AM Hellwege (ed.). Landolt-Bornstein: Group II: Atomic and Molecular Physics Volume 7: Structure Data of Free Polyatomic Molecules. Springer-Verlag. Berlin. 1976.
1994Xu/Joh:147	Y Xu, JWC Johns, ARW McKellar "High-Resolution Infrared Spectra of Formyl Fluoride, HFCO" J. Mol. Spect. 168, 147-157 (1994)	10.1006/jmsp.1994.1267
webbook	NIST Chemistry Webbook (http://webbook.nist.gov/chemistry)	10.18434/T4D303

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	F3	122.800		O2	C1	H4	127.300
F3	C1	H4	109.900

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

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Experimental data for HFCO (formyl fluoride)