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	hartrees
Energy at 0K	-3850.184800
Energy at 298.15K	-3850.192205
HF Energy	-3849.883275
Nuclear repulsion energy	296.302204

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2018	2018	0.00
2	A_g	1542	1542	0.00
3	A_g	737	737	0.00
4	A_g	239	239	0.00
5	A_u	453	453	0.00
6	B_1g	2012	2012	0.00
7	B_1g	472	472	0.00
8	B_1u	1258	1258	262.13
9	B_1u	662	662	149.36
10	B_2g	1333	1333	0.00
11	B_2g	423	423	0.00
12	B_2u	2016	2016	362.10
13	B_2u	786	786	155.52
14	B_2u	213	213	7.85
15	B_3g	752	752	0.00
16	B_3u	2011	2011	126.46
17	B_3u	1388	1388	1123.37
18	B_3u	675	675	572.02

Atom	x (Å)	y (Å)	z (Å)
Ga1	1.302	0.000	0.000
Ga2	-1.302	0.000	0.000
H3	0.000	0.000	1.167
H4	0.000	0.000	-1.167
H5	1.949	1.412	0.000
H6	1.949	-1.412	0.000
H7	-1.949	1.412	0.000
H8	-1.949	-1.412	0.000

	Ga1	Ga2	H3	H4	H5	H6	H7	H8
Ga1		2.6034	1.7485	1.7485	1.5532	1.5532	3.5443	3.5443
Ga2	2.6034		1.7485	1.7485	3.5443	3.5443	1.5532	1.5532
H3	1.7485	1.7485		2.3349	2.6751	2.6751	2.6751	2.6751
H4	1.7485	1.7485	2.3349		2.6751	2.6751	2.6751	2.6751
H5	1.5532	3.5443	2.6751	2.6751		2.8234	3.8988	4.8137
H6	1.5532	3.5443	2.6751	2.6751	2.8234		4.8137	3.8988
H7	3.5443	1.5532	2.6751	2.6751	3.8988	4.8137		2.8234
H8	3.5443	1.5532	2.6751	2.6751	4.8137	3.8988	2.8234

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Ga1	Ga2	H3	41.888	Ga1	Ga2	H4	41.888
Ga1	Ga2	H7	114.645	Ga1	Ga2	H8	114.645
Ga1	H3	Ga2	96.224	Ga1	H4	Ga2	96.224
Ga2	Ga1	H3	41.888	Ga2	Ga1	H4	41.888
Ga2	Ga1	H5	114.645	Ga2	Ga1	H6	114.645
H3	Ga1	H4	83.776	H3	Ga1	H5	108.086
H3	Ga1	H6	108.086	H3	Ga2	H4	83.776
H3	Ga2	H7	108.086	H3	Ga2	H8	108.086
H4	Ga1	H5	108.086	H4	Ga1	H6	108.086
H4	Ga2	H7	108.086	H4	Ga2	H8	108.086
H5	Ga1	H6	130.709	H7	Ga2	H8	130.709

All results from a given calculation for Ga₂H₆ (digallane)

using model chemistry: CCSD=FULL/aug-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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All results from a given calculation for Ga2H6 (digallane)

using model chemistry: CCSD=FULL/aug-cc-pVDZ

States and conformations

All results from a given calculation for Ga₂H₆ (digallane)