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	hartrees
Energy at 0K	-3808.733698
Energy at 298.15K
HF Energy	-3808.733698
Nuclear repulsion energy	364.856967

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2252	1988	0.00
2	A_g	1626	1436	0.00
3	A_g	880	777	0.00
4	A_g	432	382	0.00
5	A_u	669	591	0.00
6	B_1g	2021	1784	0.00
7	B_1g	471	416	0.00
8	B_1u	1436	1268	12.45
9	B_1u	792	700	46.72
10	B_2g	912	805	0.00
11	B_2g	489i	431i	0.00
12	B_2u	1989	1756	70.64
13	B_2u	558	493	0.04
14	B_2u	113	100	9.13
15	B_3g	788	696	0.00
16	B_3u	2191	1935	148.39
17	B_3u	902	797	0.26
18	B_3u	942i	831i	128.95

Atom	x (Å)	y (Å)	z (Å)
Ga1	1.019	0.000	0.000
Ga2	-1.019	0.000	0.000
H3	0.000	0.000	1.235
H4	0.000	0.000	-1.235
H5	1.701	1.149	0.000
H6	1.701	-1.149	0.000
H7	-1.701	1.149	0.000
H8	-1.701	-1.149	0.000

	Ga1	Ga2	H3	H4	H5	H6	H7	H8
Ga1		2.0380	1.6009	1.6009	1.3363	1.3363	2.9527	2.9527
Ga2	2.0380		1.6009	1.6009	2.9527	2.9527	1.3363	1.3363
H3	1.6009	1.6009		2.4693	2.3954	2.3954	2.3954	2.3954
H4	1.6009	1.6009	2.4693		2.3954	2.3954	2.3954	2.3954
H5	1.3363	2.9527	2.3954	2.3954		2.2986	3.4016	4.1055
H6	1.3363	2.9527	2.3954	2.3954	2.2986		4.1055	3.4016
H7	2.9527	1.3363	2.3954	2.3954	3.4016	4.1055		2.2986
H8	2.9527	1.3363	2.3954	2.3954	4.1055	3.4016	2.2986

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Ga1	Ga2	H3	50.467	Ga1	Ga2	H4	50.467
Ga1	Ga2	H7	120.678	Ga1	Ga2	H8	120.678
Ga1	H3	Ga2	79.067	Ga1	H4	Ga2	79.067
Ga2	Ga1	H3	50.467	Ga2	Ga1	H4	50.467
Ga2	Ga1	H5	120.678	Ga2	Ga1	H6	120.678
H3	Ga1	H4	100.933	H3	Ga1	H5	108.951
H3	Ga1	H6	108.951	H3	Ga2	H4	100.933
H3	Ga2	H7	108.951	H3	Ga2	H8	108.951
H4	Ga1	H5	108.951	H4	Ga1	H6	108.951
H4	Ga2	H7	108.951	H4	Ga2	H8	108.951
H5	Ga1	H6	118.644	H7	Ga2	H8	118.644

All results from a given calculation for Ga₂H₆ (digallane)

using model chemistry: B1B95/STO-3G

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	0.110
2	Ga	0.110
3	H	-0.015
4	H	-0.015
5	H	-0.048
6	H	-0.048
7	H	-0.048
8	H	-0.048

<r²>	108.728
(<r²>)^1/2	10.427

All results from a given calculation for Ga2H6 (digallane)

using model chemistry: B1B95/STO-3G

States and conformations

All results from a given calculation for Ga₂H₆ (digallane)