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	hartrees
Energy at 0K	-487.460820
Energy at 298.15K	-487.467796
HF Energy	-487.283220
Nuclear repulsion energy	78.211779

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2042	1918	0.00
2	A_g	1605	1508	0.00
3	A_g	781	734	0.00
4	A_g	388	365	0.00
5	A_u	439	412	0.00
6	B_1g	2054	1929	0.00
7	B_1g	485	456	0.00
8	B_1u	1356	1274	426.13
9	B_1u	660	619	296.92
10	B_2g	1472	1383	0.00
11	B_2g	507	476	0.00
12	B_2u	2060	1935	471.25
13	B_2u	910	855	289.93
14	B_2u	220	207	14.33
15	B_3g	806	757	0.00
16	B_3u	2035	1911	141.51
17	B_3u	1564	1469	1256.74
18	B_3u	734	690	698.40

Atom	x (Å)	y (Å)	z (Å)
Al1	1.300	0.000	0.000
Al2	-1.300	0.000	0.000
H3	0.000	0.000	1.139
H4	0.000	0.000	-1.139
H5	1.989	1.409	0.000
H6	1.989	-1.409	0.000
H7	-1.989	1.409	0.000
H8	-1.989	-1.409	0.000

	Al1	Al2	H3	H4	H5	H6	H7	H8
Al1		2.6007	1.7285	1.7285	1.5680	1.5680	3.5781	3.5781
Al2	2.6007		1.7285	1.7285	3.5781	3.5781	1.5680	1.5680
H3	1.7285	1.7285		2.2775	2.6901	2.6901	2.6901	2.6901
H4	1.7285	1.7285	2.2775		2.6901	2.6901	2.6901	2.6901
H5	1.5680	3.5781	2.6901	2.6901		2.8176	3.9775	4.8744
H6	1.5680	3.5781	2.6901	2.6901	2.8176		4.8744	3.9775
H7	3.5781	1.5680	2.6901	2.6901	3.9775	4.8744		2.8176
H8	3.5781	1.5680	2.6901	2.6901	4.8744	3.9775	2.8176

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Al1	Al2	H3	41.209	Al1	Al2	H4	41.209
Al1	Al2	H7	116.043	Al1	Al2	H8	116.043
Al1	H3	Al2	97.582	Al1	H4	Al2	97.582
Al2	Al1	H3	41.209	Al2	Al1	H4	41.209
Al2	Al1	H5	116.043	Al2	Al1	H6	116.043
H3	Al1	H4	82.418	H3	Al1	H5	109.287
H3	Al1	H6	109.287	H3	Al2	H4	82.418
H3	Al2	H7	109.287	H3	Al2	H8	109.287
H4	Al1	H5	109.287	H4	Al1	H6	109.287
H4	Al2	H7	109.287	H4	Al2	H8	109.287
H5	Al1	H6	127.915	H7	Al2	H8	127.915

All results from a given calculation for Al₂H₆ (dialane)

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

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/6-31+G**

States and conformations

All results from a given calculation for Al₂H₆ (dialane)