CCCBDB listing of experimental data page 2

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Property	Value	Uncertainty	units	Reference
Hfg(298.15K)	194.33	9.00	kJ mol^-1	Gurvich
Hfg(0K)	194.00	9.00	kJ mol^-1	Gurvich
Entropy (298.15K)	205.21		J K^-1 mol^-1	Gurvich
Integrated Heat Capacity (0 to 298.15K)	9.95		kJ mol^-1	Gurvich
Heat Capacity (298.15K)	40.03		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	Σ	3653		Gurvich
2	Σ	2029		Gurvich
3	Π	477		Gurvich

Description	Value	unc.	Connectivity				Reference	Comment
Description	Value	unc.	Atom 1	Atom 2	Atom 3	Atom 4	Reference	Comment
rCN	1.173		1	2			Gurvich
rNH	0.986		2	3			Gurvich
aHNC	180		1	2	3		Gurvich

Atom	x (Å)	y (Å)	z (Å)
C1	0.0000	0.0000	-0.7405
N2	0.0000	0.0000	0.4321
H3	0.0000	0.0000	1.4183

	C1	N2	H3
C1		1.1726	2.1588
N2	1.1726		0.9862
H3	2.1588	0.9862

	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	¹Σ	C_∞v	True				3.050	NISTtriatomic	MW +-0.1D μ₀	C_∞v	1	1

squib	reference	DOI
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
webbook	NIST Chemistry Webbook (http://webbook.nist.gov/chemistry)	10.18434/T4D303

Bond Type	Count
C#N	1
H-N	1

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Experimental data for HNC+ (hydrogen isocyanide cation)

Experimental data for HNC⁺ (hydrogen isocyanide cation)