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	hartrees
Energy at 0K	-518.299194
Energy at 298.15K	-518.306677
HF Energy	-517.746704
Nuclear repulsion energy	160.008789

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2080	2010	0.00
2	A_g	1565	1513	0.00
3	A_g	766	740	0.00
4	A_g	239	230	0.00
5	A_u	484	467	0.00
6	B_1g	2089	2019	0.00
7	B_1g	501	484	0.00
8	B_1u	1308	1264	242.75
9	B_1u	674	651	108.09
10	B_2g	1360	1314	0.00
11	B_2g	402	389	0.00
12	B_2u	2095	2024	311.17
13	B_2u	811	784	157.72
14	B_2u	227	219	3.19
15	B_3g	806	779	0.00
16	B_3u	2074	2005	106.51
17	B_3u	1398	1351	1179.73
18	B_3u	705	682	522.70

Atom	x (Å)	y (Å)	z (Å)
Ga1	1.290	0.000	0.000
Ga2	-1.290	0.000	0.000
H3	0.000	0.000	1.174
H4	0.000	0.000	-1.174
H5	1.942	1.399	0.000
H6	1.942	-1.399	0.000
H7	-1.942	1.399	0.000
H8	-1.942	-1.399	0.000

	Ga1	Ga2	H3	H4	H5	H6	H7	H8
Ga1		2.5809	1.7449	1.7449	1.5431	1.5431	3.5220	3.5220
Ga2	2.5809		1.7449	1.7449	3.5220	3.5220	1.5431	1.5431
H3	1.7449	1.7449		2.3490	2.6659	2.6659	2.6659	2.6659
H4	1.7449	1.7449	2.3490		2.6659	2.6659	2.6659	2.6659
H5	1.5431	3.5220	2.6659	2.6659		2.7977	3.8837	4.7865
H6	1.5431	3.5220	2.6659	2.6659	2.7977		4.7865	3.8837
H7	3.5220	1.5431	2.6659	2.6659	3.8837	4.7865		2.7977
H8	3.5220	1.5431	2.6659	2.6659	4.7865	3.8837	2.7977

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Ga1	Ga2	H3	42.306	Ga1	Ga2	H4	42.306
Ga1	Ga2	H7	114.970	Ga1	Ga2	H8	114.970
Ga1	H3	Ga2	95.387	Ga1	H4	Ga2	95.387
Ga2	Ga1	H3	42.306	Ga2	Ga1	H4	42.306
Ga2	Ga1	H5	114.970	Ga2	Ga1	H6	114.970
H3	Ga1	H4	84.613	H3	Ga1	H5	108.192
H3	Ga1	H6	108.192	H3	Ga2	H4	84.613
H3	Ga2	H7	108.192	H3	Ga2	H8	108.192
H4	Ga1	H5	108.192	H4	Ga1	H6	108.192
H4	Ga2	H7	108.192	H4	Ga2	H8	108.192
H5	Ga1	H6	130.059	H7	Ga2	H8	130.059

All results from a given calculation for Ga₂H₆ (digallane)

using model chemistry: MP2/CEP-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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All results from a given calculation for Ga2H6 (digallane)

using model chemistry: MP2/CEP-31G

States and conformations

All results from a given calculation for Ga₂H₆ (digallane)