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	hartrees
Energy at 0K	-3849.882103
Energy at 298.15K	-3849.889623
HF Energy	-3849.882103
Nuclear repulsion energy	291.972884

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2075	1884	0.00
2	A_g	1566	1422	0.00
3	A_g	789	716	0.00
4	A_g	237	215	0.00
5	A_u	473	430	0.00
6	B_1g	2061	1872	0.00
7	B_1g	497	452	0.00
8	B_1u	1251	1136	423.52
9	B_1u	692	628	197.48
10	B_2g	1317	1196	0.00
11	B_2g	370	336	0.00
12	B_2u	2067	1877	478.60
13	B_2u	871	790	220.30
14	B_2u	238	216	8.85
15	B_3g	822	746	0.00
16	B_3u	2067	1877	142.20
17	B_3u	1393	1265	1360.38
18	B_3u	726	660	769.07

Atom	x (Å)	y (Å)	z (Å)
Ga1	1.324	0.000	0.000
Ga2	-1.324	0.000	0.000
H3	0.000	0.000	1.182
H4	0.000	0.000	-1.182
H5	1.994	1.410	0.000
H6	1.994	-1.410	0.000
H7	-1.994	1.410	0.000
H8	-1.994	-1.410	0.000

	Ga1	Ga2	H3	H4	H5	H6	H7	H8
Ga1		2.6472	1.7745	1.7745	1.5607	1.5607	3.6043	3.6043
Ga2	2.6472		1.7745	1.7745	3.6043	3.6043	1.5607	1.5607
H3	1.7745	1.7745		2.3638	2.7127	2.7127	2.7127	2.7127
H4	1.7745	1.7745	2.3638		2.7127	2.7127	2.7127	2.7127
H5	1.5607	3.6043	2.7127	2.7127		2.8191	3.9874	4.8833
H6	1.5607	3.6043	2.7127	2.7127	2.8191		4.8833	3.9874
H7	3.6043	1.5607	2.7127	2.7127	3.9874	4.8833		2.8191
H8	3.6043	1.5607	2.7127	2.7127	4.8833	3.9874	2.8191

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Ga1	Ga2	H3	41.763	Ga1	Ga2	H4	41.763
Ga1	Ga2	H7	115.425	Ga1	Ga2	H8	115.425
Ga1	H3	Ga2	96.475	Ga1	H4	Ga2	96.475
Ga2	Ga1	H3	41.763	Ga2	Ga1	H4	41.763
Ga2	Ga1	H5	115.425	Ga2	Ga1	H6	115.425
H3	Ga1	H4	83.525	H3	Ga1	H5	108.678
H3	Ga1	H6	108.678	H3	Ga2	H4	83.525
H3	Ga2	H7	108.678	H3	Ga2	H8	108.678
H4	Ga1	H5	108.678	H4	Ga1	H6	108.678
H4	Ga2	H7	108.678	H4	Ga2	H8	108.678
H5	Ga1	H6	129.149	H7	Ga2	H8	129.149

All results from a given calculation for Ga₂H₆ (digallane)

using model chemistry: HF/cc-pVDZ

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	0.459
2	Ga	0.459
3	H	-0.195
4	H	-0.195
5	H	-0.132
6	H	-0.132
7	H	-0.132
8	H	-0.132

<r²>	160.162
(<r²>)^1/2	12.656

All results from a given calculation for Ga2H6 (digallane)

using model chemistry: HF/cc-pVDZ

States and conformations

All results from a given calculation for Ga₂H₆ (digallane)