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	hartrees
Energy at 0K	-3848.723151
Energy at 298.15K	-3848.730382
HF Energy	-3848.723151
Nuclear repulsion energy	299.328708

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2006	1978	0.00
2	A_g	1449	1429	0.00
3	A_g	697	687	0.00
4	A_g	221	218	0.00
5	A_u	463	456	0.00
6	B_1g	2022	1993	0.00
7	B_1g	488	481	0.00
8	B_1u	1245	1228	151.55
9	B_1u	633	624	98.13
10	B_2g	1247	1230	0.00
11	B_2g	406	400	0.00
12	B_2u	2029	2000	293.53
13	B_2u	727	717	90.44
14	B_2u	208	205	3.03
15	B_3g	750	739	0.00
16	B_3u	2002	1973	126.85
17	B_3u	1225	1207	792.56
18	B_3u	634	625	439.33

Atom	x (Å)	y (Å)	z (Å)
Ga1	1.281	0.000	0.000
Ga2	-1.281	0.000	0.000
H3	0.000	0.000	1.204
H4	0.000	0.000	-1.204
H5	1.926	1.416	0.000
H6	1.926	-1.416	0.000
H7	-1.926	1.416	0.000
H8	-1.926	-1.416	0.000

	Ga1	Ga2	H3	H4	H5	H6	H7	H8
Ga1		2.5625	1.7580	1.7580	1.5563	1.5563	3.5064	3.5064
Ga2	2.5625		1.7580	1.7580	3.5064	3.5064	1.5563	1.5563
H3	1.7580	1.7580		2.4076	2.6770	2.6770	2.6770	2.6770
H4	1.7580	1.7580	2.4076		2.6770	2.6770	2.6770	2.6770
H5	1.5563	3.5064	2.6770	2.6770		2.8326	3.8529	4.7821
H6	1.5563	3.5064	2.6770	2.6770	2.8326		4.7821	3.8529
H7	3.5064	1.5563	2.6770	2.6770	3.8529	4.7821		2.8326
H8	3.5064	1.5563	2.6770	2.6770	4.7821	3.8529	2.8326

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Ga1	Ga2	H3	43.215	Ga1	Ga2	H4	43.215
Ga1	Ga2	H7	114.494	Ga1	Ga2	H8	114.494
Ga1	H3	Ga2	93.570	Ga1	H4	Ga2	93.570
Ga2	Ga1	H3	43.215	Ga2	Ga1	H4	43.215
Ga2	Ga1	H5	114.494	Ga2	Ga1	H6	114.494
H3	Ga1	H4	86.430	H3	Ga1	H5	107.587
H3	Ga1	H6	107.587	H3	Ga2	H4	86.430
H3	Ga2	H7	107.587	H3	Ga2	H8	107.587
H4	Ga1	H5	107.587	H4	Ga1	H6	107.587
H4	Ga2	H7	107.587	H4	Ga2	H8	107.587
H5	Ga1	H6	131.013	H7	Ga2	H8	131.013

All results from a given calculation for Ga₂H₆ (digallane)

using model chemistry: PBEPBE/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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Number	Element	Mulliken
1	Ga	-0.085
2	Ga	-0.085
3	H	0.035
4	H	0.035
5	H	0.025
6	H	0.025
7	H	0.025
8	H	0.025

<r²>	151.930
(<r²>)^1/2	12.326

All results from a given calculation for Ga2H6 (digallane)

using model chemistry: PBEPBE/6-31G*

States and conformations

All results from a given calculation for Ga₂H₆ (digallane)