CCCBDB listing of experimental data page 2

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INChI	INChIKey	SMILES	IUPAC name
InChI=1S/2Al.6H	VRAIHTAYLFXSJJ-UHFFFAOYSA-N
InChI=1/2Al.6H/rAl2H6/c3-1-2(3)4-1/h1-2H2	VRAIHTAYLFXSJJ-UXBQRSFMNA-N

Mode Number	Symmetry	Frequency			Intensity			Comment	Description
Mode Number	Symmetry	Fundamental(cm^-1)	Harmonic(cm^-1)	Reference	(km mol^-1)	unc.	Reference	Comment	Description
8	B_1u	1259		webbook				B1u switched with B2u. Renumbered
9	B_1u	630		webbook				B1u switched with B2u. Renumbered
12	B_2u	1935		webbook				B1u switched with B2u. Renumbered
13	B_2u	835		webbook				B1u switched with B2u. Renumbered
16	B_3u	1917		webbook
17	B_3u	1405		webbook
18	B_3u	705		webbook

Bond Type	Count
H-Al	8
Al-Al	1

Atom 1	Atom 2
Al1	Al2
Al1	H3
Al1	H4
Al1	H5
Al1	H6
Al2	H3
Al2	H4
Al2	H7
Al2	H8

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_G	D_2h	True							D_2h	0	2

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Experimental data for Al2H6 (dialane)

Experimental data for Al₂H₆ (dialane)