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	hartrees
Energy at 0K	-3845.927451
Energy at 298.15K	-3845.935124
HF Energy	-3845.927451
Nuclear repulsion energy	296.241136

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2124	1921	0.00
2	A_g	1639	1482	0.00
3	A_g	783	708	0.00
4	A_g	240	217	0.00
5	A_u	493	445	0.00
6	B_1g	2113	1910	0.00
7	B_1g	517	467	0.00
8	B_1u	1375	1243	337.15
9	B_1u	701	634	206.41
10	B_2g	1442	1304	0.00
11	B_2g	443	401	0.00
12	B_2u	2119	1916	454.28
13	B_2u	889	804	205.04
14	B_2u	257	232	8.28
15	B_3g	860	777	0.00
16	B_3u	2116	1913	154.10
17	B_3u	1504	1360	1360.04
18	B_3u	721	652	680.57

Atom	x (Å)	y (Å)	z (Å)
Ga1	1.300	0.000	0.000
Ga2	-1.300	0.000	0.000
H3	0.000	0.000	1.171
H4	0.000	0.000	-1.171
H5	1.969	1.411	0.000
H6	1.969	-1.411	0.000
H7	-1.969	1.411	0.000
H8	-1.969	-1.411	0.000

	Ga1	Ga2	H3	H4	H5	H6	H7	H8
Ga1		2.5995	1.7497	1.7497	1.5618	1.5618	3.5602	3.5602
Ga2	2.5995		1.7497	1.7497	3.5602	3.5602	1.5618	1.5618
H3	1.7497	1.7497		2.3428	2.6907	2.6907	2.6907	2.6907
H4	1.7497	1.7497	2.3428		2.6907	2.6907	2.6907	2.6907
H5	1.5618	3.5602	2.6907	2.6907		2.8225	3.9376	4.8447
H6	1.5618	3.5602	2.6907	2.6907	2.8225		4.8447	3.9376
H7	3.5602	1.5618	2.6907	2.6907	3.9376	4.8447		2.8225
H8	3.5602	1.5618	2.6907	2.6907	4.8447	3.9376	2.8225

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Ga1	Ga2	H3	42.028	Ga1	Ga2	H4	42.028
Ga1	Ga2	H7	115.365	Ga1	Ga2	H8	115.365
Ga1	H3	Ga2	95.945	Ga1	H4	Ga2	95.945
Ga2	Ga1	H3	42.028	Ga2	Ga1	H4	42.028
Ga2	Ga1	H5	115.365	Ga2	Ga1	H6	115.365
H3	Ga1	H4	84.055	H3	Ga1	H5	108.555
H3	Ga1	H6	108.555	H3	Ga2	H4	84.055
H3	Ga2	H7	108.555	H3	Ga2	H8	108.555
H4	Ga1	H5	108.555	H4	Ga1	H6	108.555
H4	Ga2	H7	108.555	H4	Ga2	H8	108.555
H5	Ga1	H6	129.269	H7	Ga2	H8	129.269

All results from a given calculation for Ga₂H₆ (digallane)

using model chemistry: HF/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	0.286
2	Ga	0.286
3	H	-0.144
4	H	-0.144
5	H	-0.071
6	H	-0.071
7	H	-0.071
8	H	-0.071

<r²>	156.148
(<r²>)^1/2	12.496

All results from a given calculation for Ga2H6 (digallane)

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

States and conformations

All results from a given calculation for Ga₂H₆ (digallane)