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	hartrees
Energy at 0K	-487.447539
Energy at 298.15K	-487.454372
HF Energy	-487.274654
Nuclear repulsion energy	77.665158

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1960	1862	0.00
2	A_g	1547	1469	0.00
3	A_g	744	707	0.00
4	A_g	381	362	0.00
5	A_u	427	406	0.00
6	B_1g	1976	1877	0.00
7	B_1g	474	450	0.00
8	B_1u	1327	1261	346.88
9	B_1u	632	600	233.25
10	B_2g	1432	1360	0.00
11	B_2g	492	468	0.00
12	B_2u	1982	1882	392.86
13	B_2u	862	819	250.58
14	B_2u	213	203	11.70
15	B_3g	776	737	0.00
16	B_3u	1953	1855	127.11
17	B_3u	1519	1443	1165.50
18	B_3u	703	668	570.88

Atom	x (Å)	y (Å)	z (Å)
Al1	1.304	0.000	0.000
Al2	-1.304	0.000	0.000
H3	0.000	0.000	1.158
H4	0.000	0.000	-1.158
H5	1.999	1.428	0.000
H6	1.999	-1.428	0.000
H7	-1.999	1.428	0.000
H8	-1.999	-1.428	0.000

	Al1	Al2	H3	H4	H5	H6	H7	H8
Al1		2.6088	1.7445	1.7445	1.5881	1.5881	3.5990	3.5990
Al2	2.6088		1.7445	1.7445	3.5990	3.5990	1.5881	1.5881
H3	1.7445	1.7445		2.3167	2.7162	2.7162	2.7162	2.7162
H4	1.7445	1.7445	2.3167		2.7162	2.7162	2.7162	2.7162
H5	1.5881	3.5990	2.7162	2.7162		2.8561	3.9984	4.9137
H6	1.5881	3.5990	2.7162	2.7162	2.8561		4.9137	3.9984
H7	3.5990	1.5881	2.7162	2.7162	3.9984	4.9137		2.8561
H8	3.5990	1.5881	2.7162	2.7162	4.9137	3.9984	2.8561

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Al1	Al2	H3	41.606	Al1	Al2	H4	41.606
Al1	Al2	H7	115.946	Al1	Al2	H8	115.946
Al1	H3	Al2	96.788	Al1	H4	Al2	96.788
Al2	Al1	H3	41.606	Al2	Al1	H4	41.606
Al2	Al1	H5	115.946	Al2	Al1	H6	115.946
H3	Al1	H4	83.212	H3	Al1	H5	109.096
H3	Al1	H6	109.096	H3	Al2	H4	83.212
H3	Al2	H7	109.096	H3	Al2	H8	109.096
H4	Al1	H5	109.096	H4	Al1	H6	109.096
H4	Al2	H7	109.096	H4	Al2	H8	109.096
H5	Al1	H6	128.108	H7	Al2	H8	128.108

All results from a given calculation for Al₂H₆ (dialane)

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

States and conformations

All results from a given calculation for Al₂H₆ (dialane)