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	hartrees
Energy at 0K	-3846.043638
Energy at 298.15K	-3846.050932
HF Energy	-3845.895818
Nuclear repulsion energy	294.788896

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2007	1884	0.00
2	A_g	1448	1359	0.00
3	A_g	728	683	0.00
4	A_g	227	213	0.00
5	A_u	462	434	0.00
6	B_1g	2010	1886	0.00
7	B_1g	485	455	0.00
8	B_1u	1223	1148	218.16
9	B_1u	655	615	142.52
10	B_2g	1259	1181	0.00
11	B_2g	404	379	0.00
12	B_2u	2015	1891	311.30
13	B_2u	766	719	141.38
14	B_2u	202	189	5.02
15	B_3g	768	721	0.00
16	B_3u	2001	1878	135.36
17	B_3u	1282	1203	1063.03
18	B_3u	669	628	546.68

Atom	x (Å)	y (Å)	z (Å)
Ga1	1.303	0.000	0.000
Ga2	-1.303	0.000	0.000
H3	0.000	0.000	1.210
H4	0.000	0.000	-1.210
H5	1.962	1.428	0.000
H6	1.962	-1.428	0.000
H7	-1.962	1.428	0.000
H8	-1.962	-1.428	0.000

	Ga1	Ga2	H3	H4	H5	H6	H7	H8
Ga1		2.6064	1.7782	1.7782	1.5727	1.5727	3.5640	3.5640
Ga2	2.6064		1.7782	1.7782	3.5640	3.5640	1.5727	1.5727
H3	1.7782	1.7782		2.4196	2.7116	2.7116	2.7116	2.7116
H4	1.7782	1.7782	2.4196		2.7116	2.7116	2.7116	2.7116
H5	1.5727	3.5640	2.7116	2.7116		2.8558	3.9244	4.8535
H6	1.5727	3.5640	2.7116	2.7116	2.8558		4.8535	3.9244
H7	3.5640	1.5727	2.7116	2.7116	3.9244	4.8535		2.8558
H8	3.5640	1.5727	2.7116	2.7116	4.8535	3.9244	2.8558

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Ga1	Ga2	H3	42.872	Ga1	Ga2	H4	42.872
Ga1	Ga2	H7	114.775	Ga1	Ga2	H8	114.775
Ga1	H3	Ga2	94.256	Ga1	H4	Ga2	94.256
Ga2	Ga1	H3	42.872	Ga2	Ga1	H4	42.872
Ga2	Ga1	H5	114.775	Ga2	Ga1	H6	114.775
H3	Ga1	H4	85.744	H3	Ga1	H5	107.885
H3	Ga1	H6	107.885	H3	Ga2	H4	85.744
H3	Ga2	H7	107.885	H3	Ga2	H8	107.885
H4	Ga1	H5	107.885	H4	Ga1	H6	107.885
H4	Ga2	H7	107.885	H4	Ga2	H8	107.885
H5	Ga1	H6	130.450	H7	Ga2	H8	130.450

All results from a given calculation for Ga₂H₆ (digallane)

using model chemistry: MP3/6-31G*

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: MP3/6-31G*

States and conformations

All results from a given calculation for Ga₂H₆ (digallane)