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	hartrees
Energy at 0K	-3849.291965
Energy at 298.15K	-3849.299476
HF Energy	-3849.291965
Nuclear repulsion energy	302.497400

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2082	1996	0.00
2	A_g	1643	1575	0.00
3	A_g	724	694	0.00
4	A_g	237	227	0.00
5	A_u	478	458	0.00
6	B_1g	2091	2004	0.00
7	B_1g	498	478	0.00
8	B_1u	1446	1387	187.85
9	B_1u	658	631	134.17
10	B_2g	1486	1425	0.00
11	B_2g	461	442	0.00
12	B_2u	2097	2010	338.08
13	B_2u	790	757	115.41
14	B_2u	236	227	5.09
15	B_3g	801	768	0.00
16	B_3u	2076	1991	144.59
17	B_3u	1483	1422	919.33
18	B_3u	664	637	453.80

Atom	x (Å)	y (Å)	z (Å)
Ga1	1.266	0.000	0.000
Ga2	-1.266	0.000	0.000
H3	0.000	0.000	1.176
H4	0.000	0.000	-1.176
H5	1.919	1.410	0.000
H6	1.919	-1.410	0.000
H7	-1.919	1.410	0.000
H8	-1.919	-1.410	0.000

	Ga1	Ga2	H3	H4	H5	H6	H7	H8
Ga1		2.5328	1.7283	1.7283	1.5540	1.5540	3.4839	3.4839
Ga2	2.5328		1.7283	1.7283	3.4839	3.4839	1.5540	1.5540
H3	1.7283	1.7283		2.3521	2.6562	2.6562	2.6562	2.6562
H4	1.7283	1.7283	2.3521		2.6562	2.6562	2.6562	2.6562
H5	1.5540	3.4839	2.6562	2.6562		2.8205	3.8385	4.7634
H6	1.5540	3.4839	2.6562	2.6562	2.8205		4.7634	3.8385
H7	3.4839	1.5540	2.6562	2.6562	3.8385	4.7634		2.8205
H8	3.4839	1.5540	2.6562	2.6562	4.7634	3.8385	2.8205

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Ga1	Ga2	H3	42.881	Ga1	Ga2	H4	42.881
Ga1	Ga2	H7	114.841	Ga1	Ga2	H8	114.841
Ga1	H3	Ga2	94.239	Ga1	H4	Ga2	94.239
Ga2	Ga1	H3	42.881	Ga2	Ga1	H4	42.881
Ga2	Ga1	H5	114.841	Ga2	Ga1	H6	114.841
H3	Ga1	H4	85.761	H3	Ga1	H5	107.929
H3	Ga1	H6	107.929	H3	Ga2	H4	85.761
H3	Ga2	H7	107.929	H3	Ga2	H8	107.929
H4	Ga1	H5	107.929	H4	Ga1	H6	107.929
H4	Ga2	H7	107.929	H4	Ga2	H8	107.929
H5	Ga1	H6	130.319	H7	Ga2	H8	130.319

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	0.117
2	Ga	0.117
3	H	-0.039
4	H	-0.039
5	H	-0.039
6	H	-0.039
7	H	-0.039
8	H	-0.039

<r²>	149.204
(<r²>)^1/2	12.215

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)