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	hartrees
Energy at 0K	-3848.662819
Energy at 298.15K	-3848.670054
HF Energy	-3848.662819
Nuclear repulsion energy	302.275359

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2015	1993	0.00
2	A_g	1522	1505	0.00
3	A_g	704	696	0.00
4	A_g	232	229	0.00
5	A_u	453	448	0.00
6	B_1g	2034	2012	0.00
7	B_1g	466	461	0.00
8	B_1u	1302	1288	125.20
9	B_1u	622	615	81.73
10	B_2g	1363	1348	0.00
11	B_2g	417	412	0.00
12	B_2u	2041	2019	253.50
13	B_2u	694	686	78.42
14	B_2u	181	179	4.50
15	B_3g	715	707	0.00
16	B_3u	2012	1990	100.14
17	B_3u	1342	1327	734.22
18	B_3u	647	640	375.02

Atom	x (Å)	y (Å)	z (Å)
Ga1	1.269	0.000	0.000
Ga2	-1.269	0.000	0.000
H3	0.000	0.000	1.177
H4	0.000	0.000	-1.177
H5	1.912	1.405	0.000
H6	1.912	-1.405	0.000
H7	-1.912	1.405	0.000
H8	-1.912	-1.405	0.000

	Ga1	Ga2	H3	H4	H5	H6	H7	H8
Ga1		2.5387	1.7310	1.7310	1.5447	1.5447	3.4774	3.4774
Ga2	2.5387		1.7310	1.7310	3.4774	3.4774	1.5447	1.5447
H3	1.7310	1.7310		2.3539	2.6483	2.6483	2.6483	2.6483
H4	1.7310	1.7310	2.3539		2.6483	2.6483	2.6483	2.6483
H5	1.5447	3.4774	2.6483	2.6483		2.8095	3.8235	4.7447
H6	1.5447	3.4774	2.6483	2.6483	2.8095		4.7447	3.8235
H7	3.4774	1.5447	2.6483	2.6483	3.8235	4.7447		2.8095
H8	3.4774	1.5447	2.6483	2.6483	4.7447	3.8235	2.8095

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Ga1	Ga2	H3	42.838	Ga1	Ga2	H4	42.838
Ga1	Ga2	H7	114.576	Ga1	Ga2	H8	114.576
Ga1	H3	Ga2	94.325	Ga1	H4	Ga2	94.325
Ga2	Ga1	H3	42.838	Ga2	Ga1	H4	42.838
Ga2	Ga1	H5	114.576	Ga2	Ga1	H6	114.576
H3	Ga1	H4	85.675	H3	Ga1	H5	107.756
H3	Ga1	H6	107.756	H3	Ga2	H4	85.675
H3	Ga2	H7	107.756	H3	Ga2	H8	107.756
H4	Ga1	H5	107.756	H4	Ga1	H6	107.756
H4	Ga2	H7	107.756	H4	Ga2	H8	107.756
H5	Ga1	H6	130.849	H7	Ga2	H8	130.849

All results from a given calculation for Ga₂H₆ (digallane)

using model chemistry: LSDA/cc-pVTZ

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	-0.159
2	Ga	-0.159
3	H	0.058
4	H	0.058
5	H	0.050
6	H	0.050
7	H	0.050
8	H	0.050

<r²>	149.163
(<r²>)^1/2	12.213

All results from a given calculation for Ga2H6 (digallane)

using model chemistry: LSDA/cc-pVTZ

States and conformations

All results from a given calculation for Ga₂H₆ (digallane)