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	hartrees
Energy at 0K	-3849.655704
Energy at 298.15K	-3849.663239
HF Energy	-3849.655704
Nuclear repulsion energy	302.112957

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2085	1984	0.00
2	A_g	1637	1558	0.00
3	A_g	730	695	0.00
4	A_g	238	227	0.00
5	A_u	479	456	0.00
6	B_1g	2092	1991	0.00
7	B_1g	503	479	0.00
8	B_1u	1434	1365	180.82
9	B_1u	659	627	126.96
10	B_2g	1472	1401	0.00
11	B_2g	458	436	0.00
12	B_2u	2098	1997	335.30
13	B_2u	789	751	112.00
14	B_2u	244	232	5.22
15	B_3g	800	761	0.00
16	B_3u	2079	1979	139.68
17	B_3u	1473	1402	945.45
18	B_3u	671	638	446.37

Atom	x (Å)	y (Å)	z (Å)
Ga1	1.268	0.000	0.000
Ga2	-1.268	0.000	0.000
H3	0.000	0.000	1.177
H4	0.000	0.000	-1.177
H5	1.922	1.410	0.000
H6	1.922	-1.410	0.000
H7	-1.922	1.410	0.000
H8	-1.922	-1.410	0.000

	Ga1	Ga2	H3	H4	H5	H6	H7	H8
Ga1		2.5367	1.7303	1.7303	1.5544	1.5544	3.4880	3.4880
Ga2	2.5367		1.7303	1.7303	3.4880	3.4880	1.5544	1.5544
H3	1.7303	1.7303		2.3540	2.6585	2.6585	2.6585	2.6585
H4	1.7303	1.7303	2.3540		2.6585	2.6585	2.6585	2.6585
H5	1.5544	3.4880	2.6585	2.6585		2.8206	3.8437	4.7676
H6	1.5544	3.4880	2.6585	2.6585	2.8206		4.7676	3.8437
H7	3.4880	1.5544	2.6585	2.6585	3.8437	4.7676		2.8206
H8	3.4880	1.5544	2.6585	2.6585	4.7676	3.8437	2.8206

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Ga1	Ga2	H3	42.860	Ga1	Ga2	H4	42.860
Ga1	Ga2	H7	114.862	Ga1	Ga2	H8	114.862
Ga1	H3	Ga2	94.279	Ga1	H4	Ga2	94.279
Ga2	Ga1	H3	42.860	Ga2	Ga1	H4	42.860
Ga2	Ga1	H5	114.862	Ga2	Ga1	H6	114.862
H3	Ga1	H4	85.721	H3	Ga1	H5	107.950
H3	Ga1	H6	107.950	H3	Ga2	H4	85.721
H3	Ga2	H7	107.950	H3	Ga2	H8	107.950
H4	Ga1	H5	107.950	H4	Ga1	H6	107.950
H4	Ga2	H7	107.950	H4	Ga2	H8	107.950
H5	Ga1	H6	130.276	H7	Ga2	H8	130.276

All results from a given calculation for Ga₂H₆ (digallane)

using model chemistry: mPW1PW91/6-31+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	Ga	0.065
2	Ga	0.065
3	H	-0.019
4	H	-0.019
5	H	-0.023
6	H	-0.023
7	H	-0.023
8	H	-0.023

<r²>	149.586
(<r²>)^1/2	12.231

All results from a given calculation for Ga2H6 (digallane)

using model chemistry: mPW1PW91/6-31+G**

States and conformations

All results from a given calculation for Ga₂H₆ (digallane)