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	hartrees
Energy at 0K	-487.668679
Energy at 298.15K	-487.675615
HF Energy	-487.333232
Nuclear repulsion energy	78.312381

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2005	1903	0.00
2	A_g	1576	1496	0.00
3	A_g	762	723	0.00
4	A_g	387	368	0.00
5	A_u	434	412	0.00
6	B_1g	2009	1907	0.00
7	B_1g	473	449	0.00
8	B_1u	1332	1264	357.89
9	B_1u	656	623	299.88
10	B_2g	1464	1390	0.00
11	B_2g	507	481	0.00
12	B_2u	2017	1915	426.63
13	B_2u	880	835	225.35
14	B_2u	212	201	17.99
15	B_3g	786	746	0.00
16	B_3u	1997	1896	131.08
17	B_3u	1542	1464	1149.05
18	B_3u	716	680	673.60

Atom	x (Å)	y (Å)	z (Å)
Al1	1.296	0.000	0.000
Al2	-1.296	0.000	0.000
H3	0.000	0.000	1.146
H4	0.000	0.000	-1.146
H5	1.982	1.411	0.000
H6	1.982	-1.411	0.000
H7	-1.982	1.411	0.000
H8	-1.982	-1.411	0.000

	Al1	Al2	H3	H4	H5	H6	H7	H8
Al1		2.5927	1.7305	1.7305	1.5685	1.5685	3.5692	3.5692
Al2	2.5927		1.7305	1.7305	3.5692	3.5692	1.5685	1.5685
H3	1.7305	1.7305		2.2925	2.6894	2.6894	2.6894	2.6894
H4	1.7305	1.7305	2.2925		2.6894	2.6894	2.6894	2.6894
H5	1.5685	3.5692	2.6894	2.6894		2.8211	3.9646	4.8659
H6	1.5685	3.5692	2.6894	2.6894	2.8211		4.8659	3.9646
H7	3.5692	1.5685	2.6894	2.6894	3.9646	4.8659		2.8211
H8	3.5692	1.5685	2.6894	2.6894	4.8659	3.9646	2.8211

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Al1	Al2	H3	41.483	Al1	Al2	H4	41.483
Al1	Al2	H7	115.932	Al1	Al2	H8	115.932
Al1	H3	Al2	97.034	Al1	H4	Al2	97.034
Al2	Al1	H3	41.483	Al2	Al1	H4	41.483
Al2	Al1	H5	115.932	Al2	Al1	H6	115.932
H3	Al1	H4	82.966	H3	Al1	H5	109.124
H3	Al1	H6	109.124	H3	Al2	H4	82.966
H3	Al2	H7	109.124	H3	Al2	H8	109.124
H4	Al1	H5	109.124	H4	Al1	H6	109.124
H4	Al2	H7	109.124	H4	Al2	H8	109.124
H5	Al1	H6	128.136	H7	Al2	H8	128.136

All results from a given calculation for Al₂H₆ (dialane)

using model chemistry: MP2=FULL/cc-pVTZ

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: MP2=FULL/cc-pVTZ

States and conformations

All results from a given calculation for Al₂H₆ (dialane)