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	hartrees
Energy at 0K	-487.478271
Energy at 298.15K	-487.485229
HF Energy	-487.283323
Nuclear repulsion energy	78.043775

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2007	1892	0.00
2	A_g	1587	1496	0.00
3	A_g	769	724	0.00
4	A_g	389	366	0.00
5	A_u	438	413	0.00
6	B_1g	2021	1904	0.00
7	B_1g	483	455	0.00
8	B_1u	1345	1267	399.66
9	B_1u	653	615	283.59
10	B_2g	1453	1369	0.00
11	B_2g	504	475	0.00
12	B_2u	2027	1910	438.11
13	B_2u	904	852	280.36
14	B_2u	223	210	14.43
15	B_3g	803	756	0.00
16	B_3u	2000	1885	134.36
17	B_3u	1547	1458	1232.84
18	B_3u	723	681	663.92

Atom	x (Å)	y (Å)	z (Å)
Al1	1.304	0.000	0.000
Al2	-1.304	0.000	0.000
H3	0.000	0.000	1.141
H4	0.000	0.000	-1.141
H5	1.994	1.410	0.000
H6	1.994	-1.410	0.000
H7	-1.994	1.410	0.000
H8	-1.994	-1.410	0.000

	Al1	Al2	H3	H4	H5	H6	H7	H8
Al1		2.6072	1.7323	1.7323	1.5701	1.5701	3.5864	3.5864
Al2	2.6072		1.7323	1.7323	3.5864	3.5864	1.5701	1.5701
H3	1.7323	1.7323		2.2817	2.6955	2.6955	2.6955	2.6955
H4	1.7323	1.7323	2.2817		2.6955	2.6955	2.6955	2.6955
H5	1.5701	3.5864	2.6955	2.6955		2.8206	3.9876	4.8844
H6	1.5701	3.5864	2.6955	2.6955	2.8206		4.8844	3.9876
H7	3.5864	1.5701	2.6955	2.6955	3.9876	4.8844		2.8206
H8	3.5864	1.5701	2.6955	2.6955	4.8844	3.9876	2.8206

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Al1	Al2	H3	41.190	Al1	Al2	H4	41.190
Al1	Al2	H7	116.077	Al1	Al2	H8	116.077
Al1	H3	Al2	97.619	Al1	H4	Al2	97.619
Al2	Al1	H3	41.190	Al2	Al1	H4	41.190
Al2	Al1	H5	116.077	Al2	Al1	H6	116.077
H3	Al1	H4	82.381	H3	Al1	H5	109.317
H3	Al1	H6	109.317	H3	Al2	H4	82.381
H3	Al2	H7	109.317	H3	Al2	H8	109.317
H4	Al1	H5	109.317	H4	Al1	H6	109.317
H4	Al2	H7	109.317	H4	Al2	H8	109.317
H5	Al1	H6	127.847	H7	Al2	H8	127.847

All results from a given calculation for Al₂H₆ (dialane)

using model chemistry: CCD/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: CCD/6-31+G**

States and conformations

All results from a given calculation for Al₂H₆ (dialane)