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	hartrees
Energy at 0K	-488.247661
Energy at 298.15K	-488.254559
HF Energy	-488.132071
Nuclear repulsion energy	77.876129

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2004	2004	0.00
2	A_g	1568	1568	0.00
3	A_g	762	762	0.00
4	A_g	378	378	0.00
5	A_u	428	428	0.00
6	B_1g	2013	2013	0.00
7	B_1g	477	477	0.00
8	B_1u	1313	1313	388.94
9	B_1u	643	643	275.71
10	B_2g	1437	1437	0.00
11	B_2g	490	490	0.00
12	B_2u	2020	2020	424.91
13	B_2u	891	891	279.13
14	B_2u	222	222	12.85
15	B_3g	780	780	0.00
16	B_3u	1998	1998	115.41
17	B_3u	1527	1527	1195.84
18	B_3u	717	717	678.19

Atom	x (Å)	y (Å)	z (Å)
Al1	1.308	0.000	0.000
Al2	-1.308	0.000	0.000
H3	0.000	0.000	1.139
H4	0.000	0.000	-1.139
H5	1.995	1.415	0.000
H6	1.995	-1.415	0.000
H7	-1.995	1.415	0.000
H8	-1.995	-1.415	0.000

	Al1	Al2	H3	H4	H5	H6	H7	H8
Al1		2.6154	1.7342	1.7342	1.5726	1.5726	3.5925	3.5925
Al2	2.6154		1.7342	1.7342	3.5925	3.5925	1.5726	1.5726
H3	1.7342	1.7342		2.2780	2.6975	2.6975	2.6975	2.6975
H4	1.7342	1.7342	2.2780		2.6975	2.6975	2.6975	2.6975
H5	1.5726	3.5925	2.6975	2.6975		2.8294	3.9890	4.8906
H6	1.5726	3.5925	2.6975	2.6975	2.8294		4.8906	3.9890
H7	3.5925	1.5726	2.6975	2.6975	3.9890	4.8906		2.8294
H8	3.5925	1.5726	2.6975	2.6975	4.8906	3.9890	2.8294

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Al1	Al2	H3	41.055	Al1	Al2	H4	41.055
Al1	Al2	H7	115.896	Al1	Al2	H8	115.896
Al1	H3	Al2	97.890	Al1	H4	Al2	97.890
Al2	Al1	H3	41.055	Al2	Al1	H4	41.055
Al2	Al1	H5	115.896	Al2	Al1	H6	115.896
H3	Al1	H4	82.110	H3	Al1	H5	109.228
H3	Al1	H6	109.228	H3	Al2	H4	82.110
H3	Al2	H7	109.228	H3	Al2	H8	109.228
H4	Al1	H5	109.228	H4	Al1	H6	109.228
H4	Al2	H7	109.228	H4	Al2	H8	109.228
H5	Al1	H6	128.209	H7	Al2	H8	128.209

All results from a given calculation for Al₂H₆ (dialane)

using model chemistry: B2PLYP=FULL/6-311G*

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/6-311G*

States and conformations

All results from a given calculation for Al₂H₆ (dialane)