CCCBDB listing of experimental data page 2

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Property	Value	Uncertainty	units	Reference
Hfg(298.15K)		10.00	kJ mol^-1	1990Fu/Lem:8420
Hfg(0K)	525.90	10.00	kJ mol^-1	1990Fu/Lem:8420
Entropy (298.15K)	243.84	0.30	J K^-1 mol^-1	Gurvich
Integrated Heat Capacity (0 to 298.15K)	10.14		kJ mol^-1	Gurvich
Heat Capacity (298.15K)	37.06		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_g	284	286	1990Fu/Lem:8420

Description	Value	unc.	Connectivity				Reference	Comment
Description	Value	unc.	Atom 1	Atom 2	Atom 3	Atom 4	Reference	Comment
rAlAl	2.701	0.002	1	2			1990Fu/Lem:8420	re

Atom	x (Å)	y (Å)	z (Å)
Al1	0.0000	0.0000	0.0000
Al2	0.0000	0.0000	2.7010

	Al1	Al2
Al1		2.7010
Al2	2.7010

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Energy (cm^-1)	Degeneracy	reference	description
0	4	1990Fu/Lem:8420	³Σ_g
30.4	2	1990Fu/Lem:8420	¹Σ_g
63.4	3	1990Fu/Lem:8420	⁵Σ_u
17419.2	3	1990Fu/Lem:8420
24500	6	1990Fu/Lem:8420
27274.7	3	1990Fu/Lem:8420
28036	6	1990Fu/Lem:8420
30530.4	3	1990Fu/Lem:8420
31101.6	3	1990Fu/Lem:8420
32598.8	3	1990Fu/Lem:8420
34519.697	6	1990Fu/Lem:8420
38328.248	3	1990Fu/Lem:8420
38621.958	6	1990Fu/Lem:8420

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	³Σ_g	D_∞h	True				0.000	NSRDS-NBS10		D_∞h	0	1
2	1	¹Σ_g	D_∞h	True							D_∞h	0	1
3	1	⁵Σ_u	D_∞h	True							D_∞h	0	1

squib	reference	DOI
1990Fu/Lem:8420	Z Fu, GW Lemire, GA Bishea, MD Morse "Spectroscopy and electronic structure fo jet-cooled Al2" J. Chem. Phys. 93(12), 8420, 1990	10.1063/1.459280
2002Rie/Tsc:231	JC Rienstra-Kiracofe, GS Tschumper, HF Schaefer III, S Nandi, GB Ellison "Atomic and Molecular Electron Affinities: Photoelectron Experiments and Theoretical Computations" Chemical Reviews 2002, 102, 231-282	10.1021/cr990044u
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
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
webbook	NIST Chemistry Webbook (http://webbook.nist.gov/chemistry)	10.18434/T4D303

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Experimental data for Al2 (Aluminum diatomic)

Experimental data for Al₂ (Aluminum diatomic)