CCCBDB listing of experimental data page 2

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Property	Value	Uncertainty	units	Reference
Hfg(298.15K)	440.29	5.00	kJ mol^-1	Gurvich
Hfg(0K)	437.00	5.00	kJ mol^-1	Gurvich
Entropy (298.15K)	202.64		J K^-1 mol^-1	Gurvich
Integrated Heat Capacity (0 to 298.15K)	8.67		kJ mol^-1	Gurvich
Heat Capacity (298.15K)	29.16		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	2042	2069	1979HUB/HER

Description	Value	unc.	Connectivity				Reference	Comment
Description	Value	unc.	Atom 1	Atom 2	Atom 3	Atom 4	Reference	Comment
rCN	1.172		1	2			1979HUB/HER	re

Atom	x (Å)	y (Å)	z (Å)
C1	0.0000	0.0000	0.0000
N2	0.0000	0.0000	1.1718

	C1	N2
C1		1.1718
N2	1.1718

	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	²Σ	C_∞v	True	0.000	0.000	-1.450	1.450	1968Tho/Dal:2815		C_∞v	1	1

squib	reference	DOI
1968Tho/Dal:2815	R Thomson, FW Dalby "Experimental determination of the dipole moments of the X (2Sigma+) and B(2 Sigma+) state of the CN molecule" Canadian Journal of Physics 46, 2815 (1968)	10.1139/p68-652
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
2007Iri:389	KK Irikura "Experimental Vibrational Zero-Point Energies: Diatomic Molecules" J. Phys. Chem. Ref. Data 36(2), 389, 2007	10.1063/1.2436891
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

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Experimental data for CN (Cyano radical)