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	hartrees
Energy at 0K	-3844.715096
Energy at 298.15K	-3844.722569
HF Energy	-3844.715096
Nuclear repulsion energy	308.036507

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2056	2018	0.00
2	A_g	1652	1621	0.00
3	A_g	706	693	0.00
4	A_g	242	237	0.00
5	A_u	489	480	0.00
6	B_1g	2073	2034	0.00
7	B_1g	504	494	0.00
8	B_1u	1487	1460	99.72
9	B_1u	642	630	80.09
10	B_2g	1502	1473	0.00
11	B_2g	470	461	0.00
12	B_2u	2080	2041	232.90
13	B_2u	729	716	67.68
14	B_2u	231	227	3.97
15	B_3g	768	754	0.00
16	B_3u	2054	2015	111.89
17	B_3u	1460	1433	694.99
18	B_3u	648	636	317.86

Atom	x (Å)	y (Å)	z (Å)
Ga1	1.237	0.000	0.000
Ga2	-1.237	0.000	0.000
H3	0.000	0.000	1.186
H4	0.000	0.000	-1.186
H5	1.887	1.408	0.000
H6	1.887	-1.408	0.000
H7	-1.887	1.408	0.000
H8	-1.887	-1.408	0.000

	Ga1	Ga2	H3	H4	H5	H6	H7	H8
Ga1		2.4736	1.7136	1.7136	1.5512	1.5512	3.4267	3.4267
Ga2	2.4736		1.7136	1.7136	3.4267	3.4267	1.5512	1.5512
H3	1.7136	1.7136		2.3721	2.6365	2.6365	2.6365	2.6365
H4	1.7136	1.7136	2.3721		2.6365	2.6365	2.6365	2.6365
H5	1.5512	3.4267	2.6365	2.6365		2.8165	3.7744	4.7094
H6	1.5512	3.4267	2.6365	2.6365	2.8165		4.7094	3.7744
H7	3.4267	1.5512	2.6365	2.6365	3.7744	4.7094		2.8165
H8	3.4267	1.5512	2.6365	2.6365	4.7094	3.7744	2.8165

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Ga1	Ga2	H3	43.800	Ga1	Ga2	H4	43.800
Ga1	Ga2	H7	114.789	Ga1	Ga2	H8	114.789
Ga1	H3	Ga2	92.400	Ga1	H4	Ga2	92.400
Ga2	Ga1	H3	43.800	Ga2	Ga1	H4	43.800
Ga2	Ga1	H5	114.789	Ga2	Ga1	H6	114.789
H3	Ga1	H4	87.600	H3	Ga1	H5	107.615
H3	Ga1	H6	107.615	H3	Ga2	H4	87.600
H3	Ga2	H7	107.615	H3	Ga2	H8	107.615
H4	Ga1	H5	107.615	H4	Ga1	H6	107.615
H4	Ga2	H7	107.615	H4	Ga2	H8	107.615
H5	Ga1	H6	130.423	H7	Ga2	H8	130.423

All results from a given calculation for Ga₂H₆ (digallane)

using model chemistry: LSDA/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	-0.109
2	Ga	-0.109
3	H	0.063
4	H	0.063
5	H	0.023
6	H	0.023
7	H	0.023
8	H	0.023

<r²>	143.996
(<r²>)^1/2	12.000

All results from a given calculation for Ga2H6 (digallane)

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

States and conformations

All results from a given calculation for Ga₂H₆ (digallane)