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	hartrees
Energy at 0K	-3848.798792
Energy at 298.15K	-3848.806320
HF Energy	-3848.798792
Nuclear repulsion energy	302.762369

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2079	1984	0.00
2	A_g	1636	1561	0.00
3	A_g	730	697	0.00
4	A_g	239	228	0.00
5	A_u	482	460	0.00
6	B_1g	2087	1992	0.00
7	B_1g	504	481	0.00
8	B_1u	1440	1374	170.45
9	B_1u	659	629	121.73
10	B_2g	1472	1404	0.00
11	B_2g	461	440	0.00
12	B_2u	2094	1998	312.36
13	B_2u	784	748	106.73
14	B_2u	240	229	5.14
15	B_3g	798	761	0.00
16	B_3u	2074	1979	133.83
17	B_3u	1469	1402	913.71
18	B_3u	671	640	431.61

Atom	x (Å)	y (Å)	z (Å)
Ga1	1.264	0.000	0.000
Ga2	-1.264	0.000	0.000
H3	0.000	0.000	1.182
H4	0.000	0.000	-1.182
H5	1.921	1.410	0.000
H6	1.921	-1.410	0.000
H7	-1.921	1.410	0.000
H8	-1.921	-1.410	0.000

	Ga1	Ga2	H3	H4	H5	H6	H7	H8
Ga1		2.5284	1.7304	1.7304	1.5556	1.5556	3.4832	3.4832
Ga2	2.5284		1.7304	1.7304	3.4832	3.4832	1.5556	1.5556
H3	1.7304	1.7304		2.3631	2.6598	2.6598	2.6598	2.6598
H4	1.7304	1.7304	2.3631		2.6598	2.6598	2.6598	2.6598
H5	1.5556	3.4832	2.6598	2.6598		2.8205	3.8416	4.7658
H6	1.5556	3.4832	2.6598	2.6598	2.8205		4.7658	3.8416
H7	3.4832	1.5556	2.6598	2.6598	3.8416	4.7658		2.8205
H8	3.4832	1.5556	2.6598	2.6598	4.7658	3.8416	2.8205

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Ga1	Ga2	H3	43.065	Ga1	Ga2	H4	43.065
Ga1	Ga2	H7	114.967	Ga1	Ga2	H8	114.967
Ga1	H3	Ga2	93.870	Ga1	H4	Ga2	93.870
Ga2	Ga1	H3	43.065	Ga2	Ga1	H4	43.065
Ga2	Ga1	H5	114.967	Ga2	Ga1	H6	114.967
H3	Ga1	H4	86.130	H3	Ga1	H5	107.961
H3	Ga1	H6	107.961	H3	Ga2	H4	86.130
H3	Ga2	H7	107.961	H3	Ga2	H8	107.961
H4	Ga1	H5	107.961	H4	Ga1	H6	107.961
H4	Ga2	H7	107.961	H4	Ga2	H8	107.961
H5	Ga1	H6	130.067	H7	Ga2	H8	130.067

All results from a given calculation for Ga₂H₆ (digallane)

using model chemistry: HSEh1PBE/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	Ga	0.045
2	Ga	0.045
3	H	-0.011
4	H	-0.011
5	H	-0.017
6	H	-0.017
7	H	-0.017
8	H	-0.017

<r²>	148.959
(<r²>)^1/2	12.205

All results from a given calculation for Ga2H6 (digallane)

using model chemistry: HSEh1PBE/6-31G**

States and conformations

All results from a given calculation for Ga₂H₆ (digallane)