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	hartrees
Energy at 0K	-488.474963
Energy at 298.15K	-488.481797
HF Energy	-488.474963
Nuclear repulsion energy	77.895131

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1967	1898	0.00
2	A_g	1535	1481	0.00
3	A_g	754	727	0.00
4	A_g	375	361	0.00
5	A_u	417	402	0.00
6	B_1g	1978	1909	0.00
7	B_1g	471	455	0.00
8	B_1u	1280	1235	300.59
9	B_1u	631	609	234.07
10	B_2g	1400	1351	0.00
11	B_2g	485	468	0.00
12	B_2u	1985	1915	352.53
13	B_2u	844	815	183.80
14	B_2u	222	214	13.55
15	B_3g	744	718	0.00
16	B_3u	1961	1893	118.48
17	B_3u	1484	1432	1066.89
18	B_3u	713	688	573.79

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	1.142
H4	0.000	0.000	-1.142
H5	1.999	1.412	0.000
H6	1.999	-1.412	0.000
H7	-1.999	1.412	0.000
H8	-1.999	-1.412	0.000

	Al1	Al2	H3	H4	H5	H6	H7	H8
Al1		2.6131	1.7354	1.7354	1.5722	1.5722	3.5941	3.5941
Al2	2.6131		1.7354	1.7354	3.5941	3.5941	1.5722	1.5722
H3	1.7354	1.7354		2.2842	2.7004	2.7004	2.7004	2.7004
H4	1.7354	1.7354	2.2842		2.7004	2.7004	2.7004	2.7004
H5	1.5722	3.5941	2.7004	2.7004		2.8233	3.9974	4.8939
H6	1.5722	3.5941	2.7004	2.7004	2.8233		4.8939	3.9974
H7	3.5941	1.5722	2.7004	2.7004	3.9974	4.8939		2.8233
H8	3.5941	1.5722	2.7004	2.7004	4.8939	3.9974	2.8233

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Al1	Al2	H3	41.159	Al1	Al2	H4	41.159
Al1	Al2	H7	116.119	Al1	Al2	H8	116.119
Al1	H3	Al2	97.683	Al1	H4	Al2	97.683
Al2	Al1	H3	41.159	Al2	Al1	H4	41.159
Al2	Al1	H5	116.119	Al2	Al1	H6	116.119
H3	Al1	H4	82.317	H3	Al1	H5	109.357
H3	Al1	H6	109.357	H3	Al2	H4	82.317
H3	Al2	H7	109.357	H3	Al2	H8	109.357
H4	Al1	H5	109.357	H4	Al1	H6	109.357
H4	Al2	H7	109.357	H4	Al2	H8	109.357
H5	Al1	H6	127.761	H7	Al2	H8	127.761

All results from a given calculation for Al₂H₆ (dialane)

using model chemistry: B3LYP/6-31G(2df,p)

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	-0.046
2	Al	-0.046
3	H	0.030
4	H	0.030
5	H	0.008
6	H	0.008
7	H	0.008
8	H	0.008

<r²>	90.853
(<r²>)^1/2	9.532

All results from a given calculation for Al2H6 (dialane)

using model chemistry: B3LYP/6-31G(2df,p)

States and conformations

All results from a given calculation for Al₂H₆ (dialane)