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	hartrees
Energy at 0K	-487.539666
Energy at 298.15K	-487.546582
HF Energy	-487.334063
Nuclear repulsion energy	77.928187

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2003	1908	0.00
2	A_g	1568	1494	0.00
3	A_g	764	728	0.00
4	A_g	384	366	0.00
5	A_u	426	406	0.00
6	B_1g	2009	1914	0.00
7	B_1g	468	446	0.00
8	B_1u	1314	1252	351.88
9	B_1u	653	622	295.48
10	B_2g	1443	1375	0.00
11	B_2g	503	479	0.00
12	B_2u	2016	1921	417.61
13	B_2u	872	830	223.63
14	B_2u	214	204	17.75
15	B_3g	772	735	0.00
16	B_3u	1995	1901	130.50
17	B_3u	1526	1454	1157.45
18	B_3u	720	686	681.16

Atom	x (Å)	y (Å)	z (Å)
Al1	1.306	0.000	0.000
Al2	-1.306	0.000	0.000
H3	0.000	0.000	1.145
H4	0.000	0.000	-1.145
H5	1.993	1.414	0.000
H6	1.993	-1.414	0.000
H7	-1.993	1.414	0.000
H8	-1.993	-1.414	0.000

	Al1	Al2	H3	H4	H5	H6	H7	H8
Al1		2.6110	1.7367	1.7367	1.5718	1.5718	3.5883	3.5883
Al2	2.6110		1.7367	1.7367	3.5883	3.5883	1.5718	1.5718
H3	1.7367	1.7367		2.2906	2.6983	2.6983	2.6983	2.6983
H4	1.7367	1.7367	2.2906		2.6983	2.6983	2.6983	2.6983
H5	1.5718	3.5883	2.6983	2.6983		2.8273	3.9853	4.8863
H6	1.5718	3.5883	2.6983	2.6983	2.8273		4.8863	3.9853
H7	3.5883	1.5718	2.6983	2.6983	3.9853	4.8863		2.8273
H8	3.5883	1.5718	2.6983	2.6983	4.8863	3.9853	2.8273

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Al1	Al2	H3	41.259	Al1	Al2	H4	41.259
Al1	Al2	H7	115.923	Al1	Al2	H8	115.923
Al1	H3	Al2	97.481	Al1	H4	Al2	97.481
Al2	Al1	H3	41.259	Al2	Al1	H4	41.259
Al2	Al1	H5	115.923	Al2	Al1	H6	115.923
H3	Al1	H4	82.519	H3	Al1	H5	109.186
H3	Al1	H6	109.186	H3	Al2	H4	82.519
H3	Al2	H7	109.186	H3	Al2	H8	109.186
H4	Al1	H5	109.186	H4	Al1	H6	109.186
H4	Al2	H7	109.186	H4	Al2	H8	109.186
H5	Al1	H6	128.154	H7	Al2	H8	128.154

All results from a given calculation for Al₂H₆ (dialane)

using model chemistry: MP2/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: MP2/aug-cc-pVTZ

States and conformations

All results from a given calculation for Al₂H₆ (dialane)