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	hartrees
Energy at 0K	-3808.488451
Energy at 298.15K
HF Energy	-3808.488451
Nuclear repulsion energy	364.837174

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2224	1955	0.00
2	A_g	1525	1340	0.00
3	A_g	904	795	0.00
4	A_g	431	379	0.00
5	A_u	672	591	0.00
6	B_1g	1992	1751	0.00
7	B_1g	518	455	0.00
8	B_1u	1326	1165	13.09
9	B_1u	799	702	44.09
10	B_2g	955	839	0.00
11	B_2g	283i	248i	0.00
12	B_2u	1958	1721	69.95
13	B_2u	556	488	0.31
14	B_2u	168i	148i	9.72
15	B_3g	748	658	0.00
16	B_3u	2162	1900	156.26
17	B_3u	930	818	0.64
18	B_3u	791i	695i	124.40

Atom	x (Å)	y (Å)	z (Å)
Ga1	1.019	0.000	0.000
Ga2	-1.019	0.000	0.000
H3	0.000	0.000	1.242
H4	0.000	0.000	-1.242
H5	1.704	1.147	0.000
H6	1.704	-1.147	0.000
H7	-1.704	1.147	0.000
H8	-1.704	-1.147	0.000

	Ga1	Ga2	H3	H4	H5	H6	H7	H8
Ga1		2.0371	1.6064	1.6064	1.3357	1.3357	2.9539	2.9539
Ga2	2.0371		1.6064	1.6064	2.9539	2.9539	1.3357	1.3357
H3	1.6064	1.6064		2.4844	2.4001	2.4001	2.4001	2.4001
H4	1.6064	1.6064	2.4844		2.4001	2.4001	2.4001	2.4001
H5	1.3357	2.9539	2.4001	2.4001		2.2932	3.4075	4.1073
H6	1.3357	2.9539	2.4001	2.4001	2.2932		4.1073	3.4075
H7	2.9539	1.3357	2.4001	2.4001	3.4075	4.1073		2.2932
H8	2.9539	1.3357	2.4001	2.4001	4.1073	3.4075	2.2932

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Ga1	Ga2	H3	50.650	Ga1	Ga2	H4	50.650
Ga1	Ga2	H7	120.863	Ga1	Ga2	H8	120.863
Ga1	H3	Ga2	78.700	Ga1	H4	Ga2	78.700
Ga2	Ga1	H3	50.650	Ga2	Ga1	H4	50.650
Ga2	Ga1	H5	120.863	Ga2	Ga1	H6	120.863
H3	Ga1	H4	101.300	H3	Ga1	H5	108.982
H3	Ga1	H6	108.982	H3	Ga2	H4	101.300
H3	Ga2	H7	108.982	H3	Ga2	H8	108.982
H4	Ga1	H5	108.982	H4	Ga1	H6	108.982
H4	Ga2	H7	108.982	H4	Ga2	H8	108.982
H5	Ga1	H6	118.273	H7	Ga2	H8	118.273

All results from a given calculation for Ga₂H₆ (digallane)

using model chemistry: mPW1PW91/STO-3G

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	0.107
2	Ga	0.107
3	H	-0.011
4	H	-0.011
5	H	-0.048
6	H	-0.048
7	H	-0.048
8	H	-0.048

<r²>	108.743
(<r²>)^1/2	10.428

All results from a given calculation for Ga2H6 (digallane)

using model chemistry: mPW1PW91/STO-3G

States and conformations

All results from a given calculation for Ga₂H₆ (digallane)