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	hartrees
Energy at 0K	-484.723646
Energy at 298.15K	-484.730456
HF Energy	-484.607285
Nuclear repulsion energy	75.877150

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1915	1802	0.00
2	A_g	1504	1416	0.00
3	A_g	714	672	0.00
4	A_g	365	344	0.00
5	A_u	430	404	0.00
6	B_1g	1932	1819	0.00
7	B_1g	463	436	0.00
8	B_1u	1216	1145	436.97
9	B_1u	626	589	262.60
10	B_2g	1361	1281	0.00
11	B_2g	458	431	0.00
12	B_2u	1938	1824	354.04
13	B_2u	908	855	369.22
14	B_2u	233	220	9.00
15	B_3g	794	748	0.00
16	B_3u	1906	1794	104.26
17	B_3u	1475	1389	1373.66
18	B_3u	670	630	693.92

Atom	x (Å)	y (Å)	z (Å)
Al1	1.349	0.000	0.000
Al2	-1.349	0.000	0.000
H3	0.000	0.000	1.151
H4	0.000	0.000	-1.151
H5	2.040	1.450	0.000
H6	2.040	-1.450	0.000
H7	-2.040	1.450	0.000
H8	-2.040	-1.450	0.000

	Al1	Al2	H3	H4	H5	H6	H7	H8
Al1		2.6973	1.7732	1.7732	1.6060	1.6060	3.6855	3.6855
Al2	2.6973		1.7732	1.7732	3.6855	3.6855	1.6060	1.6060
H3	1.7732	1.7732		2.3025	2.7546	2.7546	2.7546	2.7546
H4	1.7732	1.7732	2.3025		2.7546	2.7546	2.7546	2.7546
H5	1.6060	3.6855	2.7546	2.7546		2.8994	4.0795	5.0049
H6	1.6060	3.6855	2.7546	2.7546	2.8994		5.0049	4.0795
H7	3.6855	1.6060	2.7546	2.7546	4.0795	5.0049		2.8994
H8	3.6855	1.6060	2.7546	2.7546	5.0049	4.0795	2.8994

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Al1	Al2	H3	40.485	Al1	Al2	H4	40.485
Al1	Al2	H7	115.489	Al1	Al2	H8	115.489
Al1	H3	Al2	99.029	Al1	H4	Al2	99.029
Al2	Al1	H3	40.485	Al2	Al1	H4	40.485
Al2	Al1	H5	115.489	Al2	Al1	H6	115.489
H3	Al1	H4	80.971	H3	Al1	H5	109.105
H3	Al1	H6	109.105	H3	Al2	H4	80.971
H3	Al2	H7	109.105	H3	Al2	H8	109.105
H4	Al1	H5	109.105	H4	Al1	H6	109.105
H4	Al2	H7	109.105	H4	Al2	H8	109.105
H5	Al1	H6	129.022	H7	Al2	H8	129.022

All results from a given calculation for Al₂H₆ (dialane)

using model chemistry: CISD/3-21G

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: CISD/3-21G

States and conformations

All results from a given calculation for Al₂H₆ (dialane)