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	hartrees
Energy at 0K	-488.509979
Energy at 298.15K	-488.516850
HF Energy	-488.509979
Nuclear repulsion energy	77.739667

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1971	1906	0.00
2	A_g	1548	1496	0.00
3	A_g	755	729	0.00
4	A_g	374	362	0.00
5	A_u	422	408	0.00
6	B_1g	1981	1915	0.00
7	B_1g	476	460	0.00
8	B_1u	1294	1251	356.64
9	B_1u	635	614	258.85
10	B_2g	1404	1358	0.00
11	B_2g	486	470	0.00
12	B_2u	1989	1923	408.59
13	B_2u	866	837	236.63
14	B_2u	222	215	12.82
15	B_3g	760	735	0.00
16	B_3u	1966	1901	123.57
17	B_3u	1486	1437	1096.87
18	B_3u	712	688	644.05

Atom	x (Å)	y (Å)	z (Å)
Al1	1.309	0.000	0.000
Al2	-1.309	0.000	0.000
H3	0.000	0.000	1.145
H4	0.000	0.000	-1.145
H5	2.001	1.415	0.000
H6	2.001	-1.415	0.000
H7	-2.001	1.415	0.000
H8	-2.001	-1.415	0.000

	Al1	Al2	H3	H4	H5	H6	H7	H8
Al1		2.6187	1.7394	1.7394	1.5748	1.5748	3.5997	3.5997
Al2	2.6187		1.7394	1.7394	3.5997	3.5997	1.5748	1.5748
H3	1.7394	1.7394		2.2902	2.7047	2.7047	2.7047	2.7047
H4	1.7394	1.7394	2.2902		2.7047	2.7047	2.7047	2.7047
H5	1.5748	3.5997	2.7047	2.7047		2.8299	4.0012	4.9008
H6	1.5748	3.5997	2.7047	2.7047	2.8299		4.9008	4.0012
H7	3.5997	1.5748	2.7047	2.7047	4.0012	4.9008		2.8299
H8	3.5997	1.5748	2.7047	2.7047	4.9008	4.0012	2.8299

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Al1	Al2	H3	41.172	Al1	Al2	H4	41.172
Al1	Al2	H7	116.037	Al1	Al2	H8	116.037
Al1	H3	Al2	97.656	Al1	H4	Al2	97.656
Al2	Al1	H3	41.172	Al2	Al1	H4	41.172
Al2	Al1	H5	116.037	Al2	Al1	H6	116.037
H3	Al1	H4	82.344	H3	Al1	H5	109.294
H3	Al1	H6	109.294	H3	Al2	H4	82.344
H3	Al2	H7	109.294	H3	Al2	H8	109.294
H4	Al1	H5	109.294	H4	Al1	H6	109.294
H4	Al2	H7	109.294	H4	Al2	H8	109.294
H5	Al1	H6	127.926	H7	Al2	H8	127.926

All results from a given calculation for Al₂H₆ (dialane)

using model chemistry: B3LYP/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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Number	Element	Mulliken
1	Al	0.590
2	Al	0.590
3	H	-0.231
4	H	-0.231
5	H	-0.179
6	H	-0.179
7	H	-0.179
8	H	-0.179

<r²>	91.342
(<r²>)^1/2	9.557

All results from a given calculation for Al2H6 (dialane)

using model chemistry: B3LYP/6-311G**

States and conformations

All results from a given calculation for Al₂H₆ (dialane)