CCCBDB listing of experimental data page 2

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Property	Value	units	Reference
Hfg(298.15K)	-171.54	kJ mol^-1	webbook
Hfg(0K)		kJ mol^-1	webbook
Entropy (298.15K)	248.48	J K^-1 mol^-1	webbook
Heat Capacity (298.15K)	38.92	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'	1862		webbook					CO stretch
2	A'	1026							CF str
3	A'	628							bend

Description	Value	unc.	Connectivity				Reference	Comment
Description	Value	unc.	Atom 1	Atom 2	Atom 3	Atom 4	Reference	Comment
rCO	1.180		2	3			1981Nag/Yam:249
rCF	1.326		1	2			1981Nag/Yam:249
aFCO	127.14		1	2	3		1981Nag/Yam:249

Atom	x (Å)	y (Å)
F1	-1.0211	-0.4211
C2	0.0000	0.4249
O3	1.1487	0.1550

	F1	C2	O3
F1		1.3260	2.2450
C2	1.3260		1.1800
O3	2.2450	1.1800

	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
1981Nag/Yam:249	K Nagai, C Yamada, Y Endo, E Hirota "Infrared Diode Laser Spectroscopy of FCO: The nu1 and nu2 Bands" J. Mol. Spect. 90, 249-272 (1981)	10.1016/0022-2852(81)90344-1
webbook	NIST Chemistry Webbook (http://webbook.nist.gov/chemistry)	10.18434/T4D303

Bond Type	Count
C-F	1
C=O	1

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Experimental data for FCO (Carbonyl fluoride)