CCCBDB listing of experimental data page 2

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Property	Value	Uncertainty	units	Reference
Hfg(298.15K)	15.00	3.00	kJ mol^-1	Gurvich
Hfg(0K)	22.33	3.00	kJ mol^-1	Gurvich
Entropy (298.15K)	293.17		J K^-1 mol^-1	Gurvich
Integrated Heat Capacity (0 to 298.15K)	14.44		kJ mol^-1	Gurvich
Heat Capacity (298.15K)	66.95		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'	1759		Shim
2	A'	1301		Shim
3	A'	928		Shim
4	A'	804		Shim
5	A'	633		Shim
6	A'	455		Shim
7	A'	303		Shim
8	A"	709		Shim
9	A"	152		1979HUB/HER

Description	Value	unc.	Connectivity				Reference	Comment
Description	Value	unc.	Atom 1	Atom 2	Atom 3	Atom 4	Reference	Comment
rNO	1.184		1	3			1994Cas/Dix:8317
rNO	1.507		1	2			1994Cas/Dix:8317
rFO	1.409		2	5			1994Cas/Dix:8317
aONO	117.1		2	1	3		1994Cas/Dix:8317
aONO	108.4		2	1	4		1994Cas/Dix:8317
aONO	134.5		3	1	4		1994Cas/Dix:8317
aNOF	106		1	2	5		1994Cas/Dix:8317

Atom	x (Å)	y (Å)
N1	0.0000	0.6180
O2	-0.7093	-0.7117
O3	1.1838	0.5978
O4	-0.8154	1.4765
F5	0.3029	-1.6918

	N1	O2	O3	O4	F5
N1		1.5070	1.1840	1.1840	2.3296
O2	1.5070		2.3019	2.1907	1.4090
O3	1.1840	2.3019		2.1838	2.4532
O4	1.1840	2.1907	2.1838		3.3599
F5	2.3296	1.4090	2.4532	3.3599

	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
1979HUB/HER	Huber, K.P.; Herzberg, G., Molecular Spectra and Molecular Structure. IV. Constants of Diatomic Molecules, Van Nostrand Reinhold Co., 1979	10.1007/978-1-4757-0961-2
1994Cas/Dix:8317	Casper, B., Dixon, D., Mack, H., Ulic, S., Willner, H., Oberhammer, H., Molecular Structure of Fluorine Nitrate: Dangerous for Experiment and Theory, J. Am. Chem. Soc., Vol. 116, pgs. 8317-8321	10.1021/ja00097a044
Gurvich	Gurvich, L.V.; Veyts, I. V.; Alcock, C. B., Thermodynamic Properties of Individual Substances, Fouth Edition, Hemisphere Pub. Co., New York, 1989
Shim	Shimanouchi, T. , Tables of Molecular Vibrational Frequencies, Consolidated Volu	10.6028/NBS.NSRDS.39

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
N1	O2	F5	106.000		O2	N1	O3	117.100
O2	N1	O4	108.400		O3	N1	O4	134.500

Bond Type	Count
N-O	1
N=O	2
O-F	1

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Experimental data for FNO3 (Fluorine nitrate)

Experimental data for FNO₃ (Fluorine nitrate)