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	hartrees
Energy at 0K	-487.283466
Energy at 298.15K	-487.290503
HF Energy	-487.283466
Nuclear repulsion energy	77.513408

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2052	1856	0.00
2	A_g	1607	1453	0.00
3	A_g	812	734	0.00
4	A_g	382	346	0.00
5	A_u	442	400	0.00
6	B_1g	2052	1855	0.00
7	B_1g	495	448	0.00
8	B_1u	1324	1197	571.83
9	B_1u	681	615	327.16
10	B_2g	1428	1291	0.00
11	B_2g	496	449	0.00
12	B_2u	2059	1861	583.37
13	B_2u	955	863	351.30
14	B_2u	236	213	16.41
15	B_3g	821	743	0.00
16	B_3u	2043	1848	146.23
17	B_3u	1540	1393	1453.81
18	B_3u	762	689	830.73

Atom	x (Å)	y (Å)	z (Å)
Al1	1.315	0.000	0.000
Al2	-1.315	0.000	0.000
H3	0.000	0.000	1.148
H4	0.000	0.000	-1.148
H5	2.012	1.410	0.000
H6	2.012	-1.410	0.000
H7	-2.012	1.410	0.000
H8	-2.012	-1.410	0.000

	Al1	Al2	H3	H4	H5	H6	H7	H8
Al1		2.6306	1.7458	1.7458	1.5728	1.5728	3.6139	3.6139
Al2	2.6306		1.7458	1.7458	3.6139	3.6139	1.5728	1.5728
H3	1.7458	1.7458		2.2960	2.7120	2.7120	2.7120	2.7120
H4	1.7458	1.7458	2.2960		2.7120	2.7120	2.7120	2.7120
H5	1.5728	3.6139	2.7120	2.7120		2.8200	4.0243	4.9140
H6	1.5728	3.6139	2.7120	2.7120	2.8200		4.9140	4.0243
H7	3.6139	1.5728	2.7120	2.7120	4.0243	4.9140		2.8200
H8	3.6139	1.5728	2.7120	2.7120	4.9140	4.0243	2.8200

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Al1	Al2	H3	41.115	Al1	Al2	H4	41.115
Al1	Al2	H7	116.300	Al1	Al2	H8	116.300
Al1	H3	Al2	97.771	Al1	H4	Al2	97.771
Al2	Al1	H3	41.115	Al2	Al1	H4	41.115
Al2	Al1	H5	116.300	Al2	Al1	H6	116.300
H3	Al1	H4	82.229	H3	Al1	H5	109.500
H3	Al1	H6	109.500	H3	Al2	H4	82.229
H3	Al2	H7	109.500	H3	Al2	H8	109.500
H4	Al1	H5	109.500	H4	Al1	H6	109.500
H4	Al2	H7	109.500	H4	Al2	H8	109.500
H5	Al1	H6	127.400	H7	Al2	H8	127.400

All results from a given calculation for Al₂H₆ (dialane)

using model chemistry: HF/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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Number	Element	Mulliken
1	Al	0.693
2	Al	0.693
3	H	-0.313
4	H	-0.313
5	H	-0.190
6	H	-0.190
7	H	-0.190
8	H	-0.190

<r²>	92.224
(<r²>)^1/2	9.603

All results from a given calculation for Al2H6 (dialane)

using model chemistry: HF/6-31+G**

States and conformations

All results from a given calculation for Al₂H₆ (dialane)