CCCBDB listing of experimental data page 2

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Property	Value	Uncertainty	units	Reference
Hfg(298.15K)	34.42	5.00	kJ mol^-1	Gurvich
Hfg(0K)	37.00	5.00	kJ mol^-1	Gurvich
Entropy (298.15K)	249.63		J K^-1 mol^-1	Gurvich
Integrated Heat Capacity (0 to 298.15K)	10.58		kJ mol^-1	Gurvich
Heat Capacity (298.15K)	41.06		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	A₁	1075		VEEL5
2	A₁	573		VEEL5
3	B₂	942		VEEL5

Description	Value	unc.	Connectivity				Reference	Comment
Description	Value	unc.	Atom 1	Atom 2	Atom 3	Atom 4	Reference	Comment
rNF	1.370		1	2			1966Herzberg	!assumed
aFNF	104.2		2	1	3		1966Herzberg

Atom	y (Å)	z (Å)
N1	0.0000	0.6059
F2	1.0810	-0.2356
F3	-1.0810	-0.2356

	N1	F2	F3
N1		1.3700	1.3700
F2	1.3700		2.1621
F3	1.3700	2.1621

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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You are here: Experimental > One molecule all properties

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	²B₁	C_2v	True				0.136	NISTTriatomic	± 0.010 μ₀	C_2v	1	2

squib	reference	DOI
1966Herzberg	Herzberg, G., Electronic spectra and electronic structure of polyatomic molecules,Van Nostrand,New York, 1966
1984Dav/Ham:445	Davies, P.B.; Hamilton, P.A.; Lweis-Bevan, W.; Russell, D.K. "Infrared laser spectroscopy of free radicals and ions." Proc. R. Soc. London. A 392, 445-455 (1984)	10.1098/rspa.1984.0041
Gurvich	Gurvich, L.V.; Veyts, I. V.; Alcock, C. B., Thermodynamic Properties of Individual Substances, Fouth Edition, Hemisphere Pub. Co., New York, 1989
NISTtriatomic	NIST Triatomic Spectral Database (http://www.physics.nist.gov/PhysRefData/MolSpec/Triatomic/index.html)	10.18434/T4DW2S
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

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Experimental data for NF2+ (Difluoroamino cation)

Experimental data for NF₂⁺ (Difluoroamino cation)