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	hartrees
Energy at 0K	-3849.268310
Energy at 298.15K	-3849.275675
HF Energy	-3849.268310
Nuclear repulsion energy	300.988458

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2064	1980	0.00
2	A_g	1509	1448	0.00
3	A_g	719	690	0.00
4	A_g	227	218	0.00
5	A_u	475	456	0.00
6	B_1g	2075	1991	0.00
7	B_1g	496	476	0.00
8	B_1u	1289	1237	196.49
9	B_1u	656	630	132.11
10	B_2g	1310	1257	0.00
11	B_2g	421	404	0.00
12	B_2u	2081	1997	337.43
13	B_2u	773	741	117.39
14	B_2u	216	207	3.89
15	B_3g	788	756	0.00
16	B_3u	2058	1974	143.90
17	B_3u	1299	1246	891.69
18	B_3u	654	628	512.28

Atom	x (Å)	y (Å)	z (Å)
Ga1	1.275	0.000	0.000
Ga2	-1.275	0.000	0.000
H3	0.000	0.000	1.190
H4	0.000	0.000	-1.190
H5	1.918	1.406	0.000
H6	1.918	-1.406	0.000
H7	-1.918	1.406	0.000
H8	-1.918	-1.406	0.000

	Ga1	Ga2	H3	H4	H5	H6	H7	H8
Ga1		2.5499	1.7439	1.7439	1.5463	1.5463	3.4888	3.4888
Ga2	2.5499		1.7439	1.7439	3.4888	3.4888	1.5463	1.5463
H3	1.7439	1.7439		2.3797	2.6593	2.6593	2.6593	2.6593
H4	1.7439	1.7439	2.3797		2.6593	2.6593	2.6593	2.6593
H5	1.5463	3.4888	2.6593	2.6593		2.8128	3.8357	4.7565
H6	1.5463	3.4888	2.6593	2.6593	2.8128		4.7565	3.8357
H7	3.4888	1.5463	2.6593	2.6593	3.8357	4.7565		2.8128
H8	3.4888	1.5463	2.6593	2.6593	4.7565	3.8357	2.8128

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Ga1	Ga2	H3	43.023	Ga1	Ga2	H4	43.023
Ga1	Ga2	H7	114.566	Ga1	Ga2	H8	114.566
Ga1	H3	Ga2	93.955	Ga1	H4	Ga2	93.955
Ga2	Ga1	H3	43.023	Ga2	Ga1	H4	43.023
Ga2	Ga1	H5	114.566	Ga2	Ga1	H6	114.566
H3	Ga1	H4	86.045	H3	Ga1	H5	107.695
H3	Ga1	H6	107.695	H3	Ga2	H4	86.045
H3	Ga2	H7	107.695	H3	Ga2	H8	107.695
H4	Ga1	H5	107.695	H4	Ga1	H6	107.695
H4	Ga2	H7	107.695	H4	Ga2	H8	107.695
H5	Ga1	H6	130.868	H7	Ga2	H8	130.868

All results from a given calculation for Ga₂H₆ (digallane)

using model chemistry: TPSSh/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	0.031
2	Ga	0.031
3	H	-0.014
4	H	-0.014
5	H	-0.008
6	H	-0.008
7	H	-0.008
8	H	-0.008

<r²>	150.577
(<r²>)^1/2	12.271

All results from a given calculation for Ga2H6 (digallane)

using model chemistry: TPSSh/6-31G*

States and conformations

All results from a given calculation for Ga₂H₆ (digallane)