CCCBDB listing of experimental data page 2

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INChI	INChIKey	SMILES	IUPAC name
InChI=1S/Li.Na	VVNXEADCOVSAER-UHFFFAOYSA-N	[Na][Li]
InChI=1/Li.Na/rLiNa/c1-2	VVNXEADCOVSAER-BUZOBWEENA-N	[Li][Na]

Property	Value	Uncertainty	units	Reference	Comment
Hfg(298.15K)	180.20	6.40	kJ mol^-1	1977Zmb/Wu:4603	D00=20.7 +-1.5 kcal/mole
Hfg(0K)	178.90	6.40	kJ mol^-1	1977Zmb/Wu:4603	D00=20.7 +-1.5 kcal/mole

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	256	257	1988Fel/Ver:1115				Y10

Description	Value	unc.	Connectivity				Reference	Comment
Description	Value	unc.	Atom 1	Atom 2	Atom 3	Atom 4	Reference	Comment
rLiNa	2.889		1	2			1988Fel/Ver:1115	re

Atom	x (Å)	y (Å)	z (Å)
Li1	0.0000	0.0000	0.0000
Na2	0.0000	0.0000	2.8890

	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				0.460	1972Gra/Dag:710	± 0.01 μ_e	C_∞v	1	1

squib	reference	DOI
1972Gra/Dag:710	J Graff, PG Dagdigian, L Wharton "Electric Resonance Spectrum of NaLi" J. Chem. Phys. 57(2), 710-714, 1972	10.1063/1.1678303
1977Zmb/Wu:4603	KF Zmbov, CH Wu, HR Ihle "Mass-Spectrometric study of heteronuclear diatomic alkali-metal molecules - Dissociation energies and ionization potentials of NaLi, KLi, and NaK" J. Chem. Phys. 67(10) 4603, 1977	10.1063/1.434621
1988Fel/Ver:1115	CE Fellows, J Verges, C Amiot "The NaLi electronic ground state studied by laser induced fluorescence and Fourier transform spectroscopy" Molecular Physics 1988, 63(6), 1115-1122	10.1080/00268978800100811
2007Iri:389	KK Irikura "Experimental Vibrational Zero-Point Energies: Diatomic Molecules" J. Phys. Chem. Ref. Data 36(2), 389, 2007	10.1063/1.2436891
webbook	NIST Chemistry Webbook (http://webbook.nist.gov/chemistry)	10.18434/T4D303

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Experimental data for NaLi (lithium sodium)