CCCBDB listing of experimental data page 2

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Property	Value	Uncertainty	units	Reference
Hfg(298.15K)	84.10	20.90	kJ mol^-1	JANAF
Hfg(0K)	84.12	20.90	kJ mol^-1	JANAF
Entropy (298.15K)	210.96		J K^-1 mol^-1	JANAF
Integrated Heat Capacity (0 to 298.15K)	8.94		kJ mol^-1	JANAF
Heat Capacity (298.15K)	32.21		J K^-1 mol^-1	webbook

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	799	815	2007Iri:389

Description	Value	unc.	Connectivity				Reference	Comment
Description	Value	unc.	Atom 1	Atom 2	Atom 3	Atom 4	Reference	Comment
rLiO	1.688		1	2			1989Yam/Fuj:137	re value

Atom	x (Å)	y (Å)	z (Å)
O1	0.0000	0.0000	0.0000
Li2	0.0000	0.0000	1.6882

	O1	Li2
O1		1.6882
Li2	1.6882

	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				6.843	1972Fre/Kle:1467		C_∞v	1	1

squib	reference	DOI
1972Fre/Kle:1467	SM Freund, W Klemperer, RP Mariella, E Herbst "RADIO-FREQUENCY SPECTRUM OF X 2II STATE OF LI-7-O-16" J. Chem. Phys. 56(4) 1467, 1972	10.1063/1.1677391
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
1989Yam/Fuj:137	Yamada, C.; Fujitake, M.; Hirota, E. "The microwave spectrum of the LiO radical." Journal of Chemical Physics. 91, 137-141 (1989)	10.1063/1.457500
2007Iri:389	KK Irikura "Experimental Vibrational Zero-Point Energies: Diatomic Molecules" J. Phys. Chem. Ref. Data 36(2), 389, 2007	10.1063/1.2436891
JANAF	Chase, M.W., Jr.; Davies, C.A.; Downey, J.R., Jr.; Frurip, D.J.; McDonald, R.A.; Syverud, A.N., JANAF Thermochemical Tables (Third Edition), J. Phys. Chem. Ref. Data,Suppl. 1, 1985, 14, 1.
webbook	NIST Chemistry Webbook (http://webbook.nist.gov/chemistry)	10.18434/T4D303

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Experimental data for LiO (lithium oxide)