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	hartrees
Energy at 0K	-3807.713694
Energy at 298.15K
HF Energy	-3807.713694
Nuclear repulsion energy	365.298019

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2229	1969	0.00
2	A_g	1515	1338	0.00
3	A_g	909	803	0.00
4	A_g	439	388	0.00
5	A_u	668	590	0.00
6	B_1g	1999	1765	0.00
7	B_1g	525	464	0.00
8	B_1u	1318	1164	14.69
9	B_1u	795	702	41.09
10	B_2g	935	825	0.00
11	B_2g	383i	339i	0.00
12	B_2u	1965	1735	72.59
13	B_2u	559	493	0.11
14	B_2u	134i	118i	10.54
15	B_3g	741	655	0.00
16	B_3u	2166	1913	158.78
17	B_3u	933	824	0.64
18	B_3u	847i	748i	116.04

Atom	x (Å)	y (Å)	z (Å)
Ga1	1.017	0.000	0.000
Ga2	-1.017	0.000	0.000
H3	0.000	0.000	1.247
H4	0.000	0.000	-1.247
H5	1.703	1.145	0.000
H6	1.703	-1.145	0.000
H7	-1.703	1.145	0.000
H8	-1.703	-1.145	0.000

	Ga1	Ga2	H3	H4	H5	H6	H7	H8
Ga1		2.0331	1.6091	1.6091	1.3353	1.3353	2.9507	2.9507
Ga2	2.0331		1.6091	1.6091	2.9507	2.9507	1.3353	1.3353
H3	1.6091	1.6091		2.4948	2.4015	2.4015	2.4015	2.4015
H4	1.6091	1.6091	2.4948		2.4015	2.4015	2.4015	2.4015
H5	1.3353	2.9507	2.4015	2.4015		2.2910	3.4054	4.1044
H6	1.3353	2.9507	2.4015	2.4015	2.2910		4.1044	3.4054
H7	2.9507	1.3353	2.4015	2.4015	3.4054	4.1044		2.2910
H8	2.9507	1.3353	2.4015	2.4015	4.1044	3.4054	2.2910

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Ga1	Ga2	H3	50.823	Ga1	Ga2	H4	50.823
Ga1	Ga2	H7	120.923	Ga1	Ga2	H8	120.923
Ga1	H3	Ga2	78.354	Ga1	H4	Ga2	78.354
Ga2	Ga1	H3	50.823	Ga2	Ga1	H4	50.823
Ga2	Ga1	H5	120.923	Ga2	Ga1	H6	120.923
H3	Ga1	H4	101.646	H3	Ga1	H5	108.943
H3	Ga1	H6	108.943	H3	Ga2	H4	101.646
H3	Ga2	H7	108.943	H3	Ga2	H8	108.943
H4	Ga1	H5	108.943	H4	Ga1	H6	108.943
H4	Ga2	H7	108.943	H4	Ga2	H8	108.943
H5	Ga1	H6	118.154	H7	Ga2	H8	118.154

All results from a given calculation for Ga₂H₆ (digallane)

using model chemistry: HSEh1PBE/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	0.095
2	Ga	0.095
3	H	-0.005
4	H	-0.005
5	H	-0.045
6	H	-0.045
7	H	-0.045
8	H	-0.045

<r²>	108.506
(<r²>)^1/2	10.417

All results from a given calculation for Ga2H6 (digallane)

using model chemistry: HSEh1PBE/STO-3G

States and conformations

All results from a given calculation for Ga₂H₆ (digallane)