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	hartrees
Energy at 0K	-488.311507
Energy at 298.15K	-488.318181
HF Energy	-488.311507
Nuclear repulsion energy	76.053119

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1912	1831	0.00
2	A_g	1465	1403	0.00
3	A_g	695	666	0.00
4	A_g	362	347	0.00
5	A_u	412	395	0.00
6	B_1g	1936	1854	0.00
7	B_1g	454	435	0.00
8	B_1u	1214	1162	363.29
9	B_1u	611	585	204.40
10	B_2g	1303	1248	0.00
11	B_2g	450	431	0.00
12	B_2u	1944	1861	410.95
13	B_2u	818	783	269.91
14	B_2u	227	217	6.24
15	B_3g	737	706	0.00
16	B_3u	1904	1823	147.07
17	B_3u	1392	1333	1232.38
18	B_3u	648	621	622.07

Atom	x (Å)	y (Å)	z (Å)
Al1	1.346	0.000	0.000
Al2	-1.346	0.000	0.000
H3	0.000	0.000	1.169
H4	0.000	0.000	-1.169
H5	2.015	1.447	0.000
H6	2.015	-1.447	0.000
H7	-2.015	1.447	0.000
H8	-2.015	-1.447	0.000

	Al1	Al2	H3	H4	H5	H6	H7	H8
Al1		2.6915	1.7823	1.7823	1.5946	1.5946	3.6594	3.6594
Al2	2.6915		1.7823	1.7823	3.6594	3.6594	1.5946	1.5946
H3	1.7823	1.7823		2.3373	2.7425	2.7425	2.7425	2.7425
H4	1.7823	1.7823	2.3373		2.7425	2.7425	2.7425	2.7425
H5	1.5946	3.6594	2.7425	2.7425		2.8946	4.0305	4.9622
H6	1.5946	3.6594	2.7425	2.7425	2.8946		4.9622	4.0305
H7	3.6594	1.5946	2.7425	2.7425	4.0305	4.9622		2.8946
H8	3.6594	1.5946	2.7425	2.7425	4.9622	4.0305	2.8946

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Al1	Al2	H3	40.971	Al1	Al2	H4	40.971
Al1	Al2	H7	114.824	Al1	Al2	H8	114.824
Al1	H3	Al2	98.059	Al1	H4	Al2	98.059
Al2	Al1	H3	40.971	Al2	Al1	H4	40.971
Al2	Al1	H5	114.824	Al2	Al1	H6	114.824
H3	Al1	H4	81.941	H3	Al1	H5	108.481
H3	Al1	H6	108.481	H3	Al2	H4	81.941
H3	Al2	H7	108.481	H3	Al2	H8	108.481
H4	Al1	H5	108.481	H4	Al1	H6	108.481
H4	Al2	H7	108.481	H4	Al2	H8	108.481
H5	Al1	H6	130.352	H7	Al2	H8	130.352

All results from a given calculation for Al₂H₆ (dialane)

using model chemistry: B3PW91/6-31G

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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Number	Element	Mulliken
1	Al	0.570
2	Al	0.570
3	H	-0.278
4	H	-0.278
5	H	-0.146
6	H	-0.146
7	H	-0.146
8	H	-0.146

<r²>	94.532
(<r²>)^1/2	9.723

All results from a given calculation for Al2H6 (dialane)

using model chemistry: B3PW91/6-31G

States and conformations

All results from a given calculation for Al₂H₆ (dialane)