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	hartrees
Energy at 0K	-488.180195
Energy at 298.15K	-488.187096
HF Energy	-488.110009
Nuclear repulsion energy	78.288149

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2001	2001	0.00
2	A_g	1561	1561	0.00
3	A_g	764	764	0.00
4	A_g	384	384	0.00
5	A_u	427	427	0.00
6	B_1g	2011	2011	0.00
7	B_1g	476	476	0.00
8	B_1u	1306	1306	313.66
9	B_1u	644	644	253.53
10	B_2g	1438	1438	0.00
11	B_2g	498	498	0.00
12	B_2u	2017	2017	350.45
13	B_2u	866	866	196.58
14	B_2u	221	221	14.86
15	B_3g	766	766	0.00
16	B_3u	1995	1995	115.68
17	B_3u	1522	1522	1100.35
18	B_3u	721	721	594.29

Atom	x (Å)	y (Å)	z (Å)
Al1	1.298	0.000	0.000
Al2	-1.298	0.000	0.000
H3	0.000	0.000	1.139
H4	0.000	0.000	-1.139
H5	1.988	1.408	0.000
H6	1.988	-1.408	0.000
H7	-1.988	1.408	0.000
H8	-1.988	-1.408	0.000

	Al1	Al2	H3	H4	H5	H6	H7	H8
Al1		2.5970	1.7272	1.7272	1.5674	1.5674	3.5752	3.5752
Al2	2.5970		1.7272	1.7272	3.5752	3.5752	1.5674	1.5674
H3	1.7272	1.7272		2.2778	2.6889	2.6889	2.6889	2.6889
H4	1.7272	1.7272	2.2778		2.6889	2.6889	2.6889	2.6889
H5	1.5674	3.5752	2.6889	2.6889		2.8151	3.9759	4.8716
H6	1.5674	3.5752	2.6889	2.6889	2.8151		4.8716	3.9759
H7	3.5752	1.5674	2.6889	2.6889	3.9759	4.8716		2.8151
H8	3.5752	1.5674	2.6889	2.6889	4.8716	3.9759	2.8151

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Al1	Al2	H3	41.253	Al1	Al2	H4	41.253
Al1	Al2	H7	116.098	Al1	Al2	H8	116.098
Al1	H3	Al2	97.493	Al1	H4	Al2	97.493
Al2	Al1	H3	41.253	Al2	Al1	H4	41.253
Al2	Al1	H5	116.098	Al2	Al1	H6	116.098
H3	Al1	H4	82.507	H3	Al1	H5	109.313
H3	Al1	H6	109.313	H3	Al2	H4	82.507
H3	Al2	H7	109.313	H3	Al2	H8	109.313
H4	Al1	H5	109.313	H4	Al1	H6	109.313
H4	Al2	H7	109.313	H4	Al2	H8	109.313
H5	Al1	H6	127.804	H7	Al2	H8	127.804

All results from a given calculation for Al₂H₆ (dialane)

using model chemistry: B2PLYP=FULL/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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All results from a given calculation for Al2H6 (dialane)

using model chemistry: B2PLYP=FULL/6-31G(2df,p)

States and conformations

All results from a given calculation for Al₂H₆ (dialane)