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	hartrees
Energy at 0K	-3852.758318
Energy at 298.15K	-3852.765683
HF Energy	-3852.758318
Nuclear repulsion energy	296.903349

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2029	1948	0.00
2	A_g	1525	1465	0.00
3	A_g	732	703	0.00
4	A_g	233	224	0.00
5	A_u	459	440	0.00
6	B_1g	2037	1956	0.00
7	B_1g	480	461	0.00
8	B_1u	1284	1233	227.09
9	B_1u	647	621	123.07
10	B_2g	1338	1285	0.00
11	B_2g	414	397	0.00
12	B_2u	2044	1963	358.15
13	B_2u	760	730	128.16
14	B_2u	207	198	5.23
15	B_3g	754	724	0.00
16	B_3u	2024	1943	124.97
17	B_3u	1356	1302	974.07
18	B_3u	674	647	512.40

Atom	x (Å)	y (Å)	z (Å)
Ga1	1.297	0.000	0.000
Ga2	-1.297	0.000	0.000
H3	0.000	0.000	1.182
H4	0.000	0.000	-1.182
H5	1.950	1.410	0.000
H6	1.950	-1.410	0.000
H7	-1.950	1.410	0.000
H8	-1.950	-1.410	0.000

	Ga1	Ga2	H3	H4	H5	H6	H7	H8
Ga1		2.5938	1.7544	1.7544	1.5536	1.5536	3.5394	3.5394
Ga2	2.5938		1.7544	1.7544	3.5394	3.5394	1.5536	1.5536
H3	1.7544	1.7544		2.3631	2.6804	2.6804	2.6804	2.6804
H4	1.7544	1.7544	2.3631		2.6804	2.6804	2.6804	2.6804
H5	1.5536	3.5394	2.6804	2.6804		2.8197	3.8993	4.8119
H6	1.5536	3.5394	2.6804	2.6804	2.8197		4.8119	3.8993
H7	3.5394	1.5536	2.6804	2.6804	3.8993	4.8119		2.8197
H8	3.5394	1.5536	2.6804	2.6804	4.8119	3.8993	2.8197

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Ga1	Ga2	H3	42.334	Ga1	Ga2	H4	42.334
Ga1	Ga2	H7	114.842	Ga1	Ga2	H8	114.842
Ga1	H3	Ga2	95.331	Ga1	H4	Ga2	95.331
Ga2	Ga1	H3	42.334	Ga2	Ga1	H4	42.334
Ga2	Ga1	H5	114.842	Ga2	Ga1	H6	114.842
H3	Ga1	H4	84.669	H3	Ga1	H5	108.093
H3	Ga1	H6	108.093	H3	Ga2	H4	84.669
H3	Ga2	H7	108.093	H3	Ga2	H8	108.093
H4	Ga1	H5	108.093	H4	Ga1	H6	108.093
H4	Ga2	H7	108.093	H4	Ga2	H8	108.093
H5	Ga1	H6	130.315	H7	Ga2	H8	130.315

All results from a given calculation for Ga₂H₆ (digallane)

using model chemistry: HSEh1PBE/TZVP

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	0.316
2	Ga	0.316
3	H	-0.118
4	H	-0.118
5	H	-0.099
6	H	-0.099
7	H	-0.099
8	H	-0.099

<r²>	154.482
(<r²>)^1/2	12.429

All results from a given calculation for Ga2H6 (digallane)

using model chemistry: HSEh1PBE/TZVP

States and conformations

All results from a given calculation for Ga₂H₆ (digallane)