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	hartrees
Energy at 0K	-3846.412679
Energy at 298.15K	-3846.420232
HF Energy	-3846.412679
Nuclear repulsion energy	297.103152

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2124	1923	0.00
2	A_g	1620	1467	0.00
3	A_g	771	698	0.00
4	A_g	239	216	0.00
5	A_u	476	431	0.00
6	B_1g	2106	1907	0.00
7	B_1g	488	442	0.00
8	B_1u	1322	1197	375.65
9	B_1u	691	626	210.59
10	B_2g	1390	1258	0.00
11	B_2g	424	384	0.00
12	B_2u	2111	1911	505.76
13	B_2u	871	788	216.24
14	B_2u	231	209	10.65
15	B_3g	827	749	0.00
16	B_3u	2115	1915	149.35
17	B_3u	1458	1320	1305.25
18	B_3u	713	645	699.29

Atom	x (Å)	y (Å)	z (Å)
Ga1	1.295	0.000	0.000
Ga2	-1.295	0.000	0.000
H3	0.000	0.000	1.176
H4	0.000	0.000	-1.176
H5	1.971	1.406	0.000
H6	1.971	-1.406	0.000
H7	-1.971	1.406	0.000
H8	-1.971	-1.406	0.000

	Ga1	Ga2	H3	H4	H5	H6	H7	H8
Ga1		2.5892	1.7490	1.7490	1.5602	1.5602	3.5553	3.5553
Ga2	2.5892		1.7490	1.7490	3.5553	3.5553	1.5602	1.5602
H3	1.7490	1.7490		2.3519	2.6915	2.6915	2.6915	2.6915
H4	1.7490	1.7490	2.3519		2.6915	2.6915	2.6915	2.6915
H5	1.5602	3.5553	2.6915	2.6915		2.8119	3.9419	4.8420
H6	1.5602	3.5553	2.6915	2.6915	2.8119		4.8420	3.9419
H7	3.5553	1.5602	2.6915	2.6915	3.9419	4.8420		2.8119
H8	3.5553	1.5602	2.6915	2.6915	4.8420	3.9419	2.8119

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Ga1	Ga2	H3	42.251	Ga1	Ga2	H4	42.251
Ga1	Ga2	H7	115.691	Ga1	Ga2	H8	115.691
Ga1	H3	Ga2	95.498	Ga1	H4	Ga2	95.498
Ga2	Ga1	H3	42.251	Ga2	Ga1	H4	42.251
Ga2	Ga1	H5	115.691	Ga2	Ga1	H6	115.691
H3	Ga1	H4	84.502	H3	Ga1	H5	108.717
H3	Ga1	H6	108.717	H3	Ga2	H4	84.502
H3	Ga2	H7	108.717	H3	Ga2	H8	108.717
H4	Ga1	H5	108.717	H4	Ga1	H6	108.717
H4	Ga2	H7	108.717	H4	Ga2	H8	108.717
H5	Ga1	H6	128.618	H7	Ga2	H8	128.618

All results from a given calculation for Ga₂H₆ (digallane)

using model chemistry: HF/6-31G(2df,p)

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	0.211
2	Ga	0.211
3	H	-0.126
4	H	-0.126
5	H	-0.043
6	H	-0.043
7	H	-0.043
8	H	-0.043

<r²>	155.058
(<r²>)^1/2	12.452

All results from a given calculation for Ga2H6 (digallane)

using model chemistry: HF/6-31G(2df,p)

States and conformations

All results from a given calculation for Ga₂H₆ (digallane)