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	hartrees
Energy at 0K	-518.307122
Energy at 298.15K	-518.314596
HF Energy	-517.753062
Nuclear repulsion energy	159.726642

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2068	2019	0.00
2	A_g	1561	1523	0.00
3	A_g	773	755	0.00
4	A_g	237	231	0.00
5	A_u	474	463	0.00
6	B_1g	2073	2023	0.00
7	B_1g	494	482	0.00
8	B_1u	1304	1273	287.27
9	B_1u	667	651	144.38
10	B_2g	1361	1328	0.00
11	B_2g	373	364	0.00
12	B_2u	2079	2029	388.82
13	B_2u	806	787	183.92
14	B_2u	228	223	4.75
15	B_3g	777	759	0.00
16	B_3u	2063	2013	126.22
17	B_3u	1399	1366	1198.27
18	B_3u	712	694	580.44

Atom	x (Å)	y (Å)	z (Å)
Ga1	1.293	0.000	0.000
Ga2	-1.293	0.000	0.000
H3	0.000	0.000	1.173
H4	0.000	0.000	-1.173
H5	1.947	1.399	0.000
H6	1.947	-1.399	0.000
H7	-1.947	1.399	0.000
H8	-1.947	-1.399	0.000

	Ga1	Ga2	H3	H4	H5	H6	H7	H8
Ga1		2.5868	1.7463	1.7463	1.5444	1.5444	3.5297	3.5297
Ga2	2.5868		1.7463	1.7463	3.5297	3.5297	1.5444	1.5444
H3	1.7463	1.7463		2.3468	2.6694	2.6694	2.6694	2.6694
H4	1.7463	1.7463	2.3468		2.6694	2.6694	2.6694	2.6694
H5	1.5444	3.5297	2.6694	2.6694		2.7984	3.8943	4.7955
H6	1.5444	3.5297	2.6694	2.6694	2.7984		4.7955	3.8943
H7	3.5297	1.5444	2.6694	2.6694	3.8943	4.7955		2.7984
H8	3.5297	1.5444	2.6694	2.6694	4.7955	3.8943	2.7984

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Ga1	Ga2	H3	42.215	Ga1	Ga2	H4	42.215
Ga1	Ga2	H7	115.044	Ga1	Ga2	H8	115.044
Ga1	H3	Ga2	95.570	Ga1	H4	Ga2	95.570
Ga2	Ga1	H3	42.215	Ga2	Ga1	H4	42.215
Ga2	Ga1	H5	115.044	Ga2	Ga1	H6	115.044
H3	Ga1	H4	84.430	H3	Ga1	H5	108.271
H3	Ga1	H6	108.271	H3	Ga2	H4	84.430
H3	Ga2	H7	108.271	H3	Ga2	H8	108.271
H4	Ga1	H5	108.271	H4	Ga1	H6	108.271
H4	Ga2	H7	108.271	H4	Ga2	H8	108.271
H5	Ga1	H6	129.912	H7	Ga2	H8	129.912

All results from a given calculation for Ga₂H₆ (digallane)

using model chemistry: MP2/CEP-121G

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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All results from a given calculation for Ga2H6 (digallane)

using model chemistry: MP2/CEP-121G

States and conformations

All results from a given calculation for Ga₂H₆ (digallane)