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	hartrees
Energy at 0K	-487.307611
Energy at 298.15K	-487.314409
HF Energy	-487.210338
Nuclear repulsion energy	75.534113

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1923	1827	0.00
2	A_g	1491	1417	0.00
3	A_g	725	688	0.00
4	A_g	367	349	0.00
5	A_u	429	408	0.00
6	B_1g	1943	1846	0.00
7	B_1g	466	443	0.00
8	B_1u	1198	1138	487.01
9	B_1u	632	600	265.12
10	B_2g	1322	1256	0.00
11	B_2g	440	418	0.00
12	B_2u	1950	1852	452.99
13	B_2u	907	862	391.89
14	B_2u	238	226	8.63
15	B_3g	789	750	0.00
16	B_3u	1915	1820	135.68
17	B_3u	1438	1367	1480.94
18	B_3u	676	642	782.27

Atom	x (Å)	y (Å)	z (Å)
Al1	1.360	0.000	0.000
Al2	-1.360	0.000	0.000
H3	0.000	0.000	1.156
H4	0.000	0.000	-1.156
H5	2.042	1.447	0.000
H6	2.042	-1.447	0.000
H7	-2.042	1.447	0.000
H8	-2.042	-1.447	0.000

	Al1	Al2	H3	H4	H5	H6	H7	H8
Al1		2.7206	1.7849	1.7849	1.5996	1.5996	3.6970	3.6970
Al2	2.7206		1.7849	1.7849	3.6970	3.6970	1.5996	1.5996
H3	1.7849	1.7849		2.3112	2.7565	2.7565	2.7565	2.7565
H4	1.7849	1.7849	2.3112		2.7565	2.7565	2.7565	2.7565
H5	1.5996	3.6970	2.7565	2.7565		2.8946	4.0833	5.0052
H6	1.5996	3.6970	2.7565	2.7565	2.8946		5.0052	4.0833
H7	3.6970	1.5996	2.7565	2.7565	4.0833	5.0052		2.8946
H8	3.6970	1.5996	2.7565	2.7565	5.0052	4.0833	2.8946

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Al1	Al2	H3	40.348	Al1	Al2	H4	40.348
Al1	Al2	H7	115.209	Al1	Al2	H8	115.209
Al1	H3	Al2	99.304	Al1	H4	Al2	99.304
Al2	Al1	H3	40.348	Al2	Al1	H4	40.348
Al2	Al1	H5	115.209	Al2	Al1	H6	115.209
H3	Al1	H4	80.696	H3	Al1	H5	108.942
H3	Al1	H6	108.942	H3	Al2	H4	80.696
H3	Al2	H7	108.942	H3	Al2	H8	108.942
H4	Al1	H5	108.942	H4	Al1	H6	108.942
H4	Al2	H7	108.942	H4	Al2	H8	108.942
H5	Al1	H6	129.581	H7	Al2	H8	129.581

All results from a given calculation for Al₂H₆ (dialane)

using model chemistry: MP2=FULL/6-31G

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=FULL/6-31G

States and conformations

All results from a given calculation for Al₂H₆ (dialane)