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	hartrees
Energy at 0K	-488.161480
Energy at 298.15K	-488.168376
HF Energy	-488.102324
Nuclear repulsion energy	77.925265

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2002	1904	0.00
2	A_g	1568	1491	0.00
3	A_g	767	729	0.00
4	A_g	378	360	0.00
5	A_u	428	407	0.00
6	B_1g	2012	1914	0.00
7	B_1g	480	456	0.00
8	B_1u	1317	1253	394.30
9	B_1u	643	612	257.80
10	B_2g	1423	1353	0.00
11	B_2g	491	467	0.00
12	B_2u	2019	1920	451.93
13	B_2u	879	836	253.98
14	B_2u	221	210	12.79
15	B_3g	776	738	0.00
16	B_3u	1995	1897	141.79
17	B_3u	1512	1438	1197.41
18	B_3u	721	686	653.13

Atom	x (Å)	y (Å)	z (Å)
Al1	1.306	0.000	0.000
Al2	-1.306	0.000	0.000
H3	0.000	0.000	1.144
H4	0.000	0.000	-1.144
H5	1.995	1.412	0.000
H6	1.995	-1.412	0.000
H7	-1.995	1.412	0.000
H8	-1.995	-1.412	0.000

	Al1	Al2	H3	H4	H5	H6	H7	H8
Al1		2.6117	1.7359	1.7359	1.5715	1.5715	3.5903	3.5903
Al2	2.6117		1.7359	1.7359	3.5903	3.5903	1.5715	1.5715
H3	1.7359	1.7359		2.2875	2.6986	2.6986	2.6986	2.6986
H4	1.7359	1.7359	2.2875		2.6986	2.6986	2.6986	2.6986
H5	1.5715	3.5903	2.6986	2.6986		2.8246	3.9899	4.8886
H6	1.5715	3.5903	2.6986	2.6986	2.8246		4.8886	3.9899
H7	3.5903	1.5715	2.6986	2.6986	3.9899	4.8886		2.8246
H8	3.5903	1.5715	2.6986	2.6986	4.8886	3.9899	2.8246

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Al1	Al2	H3	41.214	Al1	Al2	H4	41.214
Al1	Al2	H7	116.009	Al1	Al2	H8	116.009
Al1	H3	Al2	97.571	Al1	H4	Al2	97.571
Al2	Al1	H3	41.214	Al2	Al1	H4	41.214
Al2	Al1	H5	116.009	Al2	Al1	H6	116.009
H3	Al1	H4	82.429	H3	Al1	H5	109.261
H3	Al1	H6	109.261	H3	Al2	H4	82.429
H3	Al2	H7	109.261	H3	Al2	H8	109.261
H4	Al1	H5	109.261	H4	Al1	H6	109.261
H4	Al2	H7	109.261	H4	Al2	H8	109.261
H5	Al1	H6	127.982	H7	Al2	H8	127.982

All results from a given calculation for Al₂H₆ (dialane)

using model chemistry: B2PLYP=FULL/6-31+G**

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All results from a given calculation for Al2H6 (dialane)

using model chemistry: B2PLYP=FULL/6-31+G**

States and conformations

All results from a given calculation for Al₂H₆ (dialane)