CCCBDB listing of experimental data page 2

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Property	Value	Uncertainty	units	Reference
Hfg(298.15K)	52.70	0.42	kJ mol^-1	Gurvich
Hfg(0K)	54.60	0.42	kJ mol^-1	Gurvich
Entropy (298.15K)	261.58		J K^-1 mol^-1	Gurvich
Integrated Heat Capacity (0 to 298.15K)	11.36		kJ mol^-1	Gurvich
Heat Capacity (298.15K)	44.62		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'	1800		Shim
2	A'	596		Shim
3	A'	332		Shim

Description	Value	unc.	Connectivity				Reference	Comment
Description	Value	unc.	Atom 1	Atom 2	Atom 3	Atom 4	Reference	Comment
rNCl	1.975		1	2			1976Hellwege(II/7)
rNO	1.139		2	3			1976Hellwege(II/7)
aONCl	113.3		1	2	3		1976Hellwege(II/7)

Atom	x (Å)	y (Å)
Cl1	-0.5312	-0.9298
N2	0.0000	0.9724
O3	1.1287	1.1250

	Cl1	N2	O3
Cl1		1.9750	2.6415
N2	1.9750		1.1390
O3	2.6415	1.1390

	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				1.866	NSRDS-NBS10	μ_a = 1.86 ± 0.02. From calcs μ- μ_a = 0.006. MW	C_s	2	3

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.
1983Caz/Esp:165	G Cazzoli "EQUILIBRIUM STRUCTURE AND FORCE-FIELD OF NITROSYL CHLORIDE" J. Mol. Spect. 97(1) 165-185, 1983	10.1016/0022-2852(83)90343-0
Gurvich	Gurvich, L.V.; Veyts, I. V.; Alcock, C. B., Thermodynamic Properties of Individual Substances, Fouth Edition, Hemisphere Pub. Co., New York, 1989
NSRDS-NBS10	R. D. Nelson Jr., D. R. Lide, A. A. Maryott "Selected Values of electric dipole moments for molecules in the gas phase" NSRDS-NBS10, 1967	10.6028/NBS.NSRDS.10
Shim	Shimanouchi, T. , Tables of Molecular Vibrational Frequencies, Consolidated Volu	10.6028/NBS.NSRDS.39
webbook	NIST Chemistry Webbook (http://webbook.nist.gov/chemistry)	10.18434/T4D303

Bond Type	Count
N=O	1
N-Cl	1

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Experimental data for ClNO (Nitrosyl chloride)