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	hartrees
Energy at 0K	-487.518660
Energy at 298.15K	-487.525554
HF Energy	-487.305325
Nuclear repulsion energy	77.425618

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1955	1852	0.00
2	A_g	1550	1469	0.00
3	A_g	759	719	0.00
4	A_g	383	363	0.00
5	A_u	426	404	0.00
6	B_1g	1966	1862	0.00
7	B_1g	475	450	0.00
8	B_1u	1281	1214	366.60
9	B_1u	646	612	269.86
10	B_2g	1405	1331	0.00
11	B_2g	487	462	0.00
12	B_2u	1971	1868	343.86
13	B_2u	868	822	232.98
14	B_2u	221	209	16.04
15	B_3g	771	730	0.00
16	B_3u	1949	1846	112.11
17	B_3u	1492	1414	1159.23
18	B_3u	715	678	634.44

Atom	x (Å)	y (Å)	z (Å)
Al1	1.316	0.000	0.000
Al2	-1.316	0.000	0.000
H3	0.000	0.000	1.150
H4	0.000	0.000	-1.150
H5	2.005	1.420	0.000
H6	2.005	-1.420	0.000
H7	-2.005	1.420	0.000
H8	-2.005	-1.420	0.000

	Al1	Al2	H3	H4	H5	H6	H7	H8
Al1		2.6312	1.7474	1.7474	1.5789	1.5789	3.6118	3.6118
Al2	2.6312		1.7474	1.7474	3.6118	3.6118	1.5789	1.5789
H3	1.7474	1.7474		2.3001	2.7131	2.7131	2.7131	2.7131
H4	1.7474	1.7474	2.3001		2.7131	2.7131	2.7131	2.7131
H5	1.5789	3.6118	2.7131	2.7131		2.8406	4.0105	4.9146
H6	1.5789	3.6118	2.7131	2.7131	2.8406		4.9146	4.0105
H7	3.6118	1.5789	2.7131	2.7131	4.0105	4.9146		2.8406
H8	3.6118	1.5789	2.7131	2.7131	4.9146	4.0105	2.8406

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Al1	Al2	H3	41.158	Al1	Al2	H4	41.158
Al1	Al2	H7	115.900	Al1	Al2	H8	115.900
Al1	H3	Al2	97.684	Al1	H4	Al2	97.684
Al2	Al1	H3	41.158	Al2	Al1	H4	41.158
Al2	Al1	H5	115.900	Al2	Al1	H6	115.900
H3	Al1	H4	82.316	H3	Al1	H5	109.200
H3	Al1	H6	109.200	H3	Al2	H4	82.316
H3	Al2	H7	109.200	H3	Al2	H8	109.200
H4	Al1	H5	109.200	H4	Al1	H6	109.200
H4	Al2	H7	109.200	H4	Al2	H8	109.200
H5	Al1	H6	128.200	H7	Al2	H8	128.200

All results from a given calculation for Al₂H₆ (dialane)

using model chemistry: CCSD/cc-pVDZ

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: CCSD/cc-pVDZ

States and conformations

All results from a given calculation for Al₂H₆ (dialane)