CCCBDB listing of experimental data page 2

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Property	Value	Uncertainty	units	Reference
Hfg(298.15K)	-187.00	7.00	kJ mol^-1	Gurvich
Hfg(0K)	-178.79	7.00	kJ mol^-1	Gurvich
Entropy (298.15K)	277.73		J K^-1 mol^-1	Gurvich
Integrated Heat Capacity (0 to 298.15K)	13.70		kJ mol^-1	Gurvich
Heat Capacity (298.15K)	68.07		J K^-1 mol^-1	Gurvich

Description	Value	unc.	Connectivity				Reference	Comment
Description	Value	unc.	Atom 1	Atom 2	Atom 3	Atom 4	Reference	Comment
rNO	1.158		1	2			1976Hellwege(II/7)
rNF	1.431		1	3			1976Hellwege(II/7)
aONF	117.1		2	1	3		1976Hellwege(II/7)
aFNF	100.8		3	1	4		1976Hellwege(II/7)

Atom	x (Å)	y (Å)	z (Å)
N1	0.0000	0.0000	0.1985
O2	0.0000	0.0000	1.3565
F3	0.0000	1.2739	-0.4534
F4	1.1032	-0.6369	-0.4534
F5	-1.1032	-0.6369	-0.4534

	N1	O2	F3	F4	F5
N1		1.1580	1.4310	1.4310	1.4310
O2	1.1580		2.2133	2.2133	2.2133
F3	1.4310	2.2133		2.2065	2.2065
F4	1.4310	2.2133	2.2065		2.2065
F5	1.4310	2.2133	2.2065	2.2065

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	N1	F3	117.100	O2	N1	F4	117.100
O2	N1	F5	117.100	F3	N1	F4	100.878
F3	N1	F5	100.878	F4	N1	F5	100.878

	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	¹A₁	C_3v	True							C_3v	1	1

squib	reference	DOI
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.
Gurvich	Gurvich, L.V.; Veyts, I. V.; Alcock, C. B., Thermodynamic Properties of Individual Substances, Fouth Edition, Hemisphere Pub. Co., New York, 1989
webbook	NIST Chemistry Webbook (http://webbook.nist.gov/chemistry)	10.18434/T4D303

Bond Type	Count
N=O	1
N-F	3

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Experimental data for F3NO (Nitrogen trifluoride oxide)

Experimental data for F₃NO (Nitrogen trifluoride oxide)