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	hartrees
Energy at 0K	-487.583202
Energy at 298.15K	-487.590098
HF Energy	-487.334085
Nuclear repulsion energy	77.788589

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1974	1890	0.00
2	A_g	1551	1484	0.00
3	A_g	755	723	0.00
4	A_g	382	366	0.00
5	A_u	423	405	0.00
6	B_1g	1982	1896	0.00
7	B_1g	467	447	0.00
8	B_1u	1303	1247	336.80
9	B_1u	646	618	279.23
10	B_2g	1424	1362	0.00
11	B_2g	499	477	0.00
12	B_2u	1988	1903	399.11
13	B_2u	865	828	215.27
14	B_2u	219	210	17.46
15	B_3g	765	732	0.00
16	B_3u	1967	1882	128.35
17	B_3u	1508	1443	1143.28
18	B_3u	713	682	652.34

Atom	x (Å)	y (Å)	z (Å)
Al1	1.307	0.000	0.000
Al2	-1.307	0.000	0.000
H3	0.000	0.000	1.150
H4	0.000	0.000	-1.150
H5	1.997	1.417	0.000
H6	1.997	-1.417	0.000
H7	-1.997	1.417	0.000
H8	-1.997	-1.417	0.000

	Al1	Al2	H3	H4	H5	H6	H7	H8
Al1		2.6140	1.7409	1.7409	1.5756	1.5756	3.5948	3.5948
Al2	2.6140		1.7409	1.7409	3.5948	3.5948	1.5756	1.5756
H3	1.7409	1.7409		2.2999	2.7049	2.7049	2.7049	2.7049
H4	1.7409	1.7409	2.2999		2.7049	2.7049	2.7049	2.7049
H5	1.5756	3.5948	2.7049	2.7049		2.8330	3.9938	4.8966
H6	1.5756	3.5948	2.7049	2.7049	2.8330		4.8966	3.9938
H7	3.5948	1.5756	2.7049	2.7049	3.9938	4.8966		2.8330
H8	3.5948	1.5756	2.7049	2.7049	4.8966	3.9938	2.8330

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Al1	Al2	H3	41.343	Al1	Al2	H4	41.343
Al1	Al2	H7	115.969	Al1	Al2	H8	115.969
Al1	H3	Al2	97.315	Al1	H4	Al2	97.315
Al2	Al1	H3	41.343	Al2	Al1	H4	41.343
Al2	Al1	H5	115.969	Al2	Al1	H6	115.969
H3	Al1	H4	82.685	H3	Al1	H5	109.193
H3	Al1	H6	109.193	H3	Al2	H4	82.685
H3	Al2	H7	109.193	H3	Al2	H8	109.193
H4	Al1	H5	109.193	H4	Al1	H6	109.193
H4	Al2	H7	109.193	H4	Al2	H8	109.193
H5	Al1	H6	128.063	H7	Al2	H8	128.063

All results from a given calculation for Al₂H₆ (dialane)

using model chemistry: CCD/aug-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: CCD/aug-cc-pVTZ

States and conformations

All results from a given calculation for Al₂H₆ (dialane)