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	hartrees
Energy at 0K	-3853.189340
Energy at 298.15K	-3853.196691
HF Energy	-3853.189340
Nuclear repulsion energy	295.857708

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2023	1967	0.00
2	A_g	1530	1488	0.00
3	A_g	726	706	0.00
4	A_g	231	225	0.00
5	A_u	456	443	0.00
6	B_1g	2032	1976	0.00
7	B_1g	475	462	0.00
8	B_1u	1281	1246	233.68
9	B_1u	646	628	125.35
10	B_2g	1340	1303	0.00
11	B_2g	410	399	0.00
12	B_2u	2039	1983	356.30
13	B_2u	767	746	123.06
14	B_2u	209	203	5.20
15	B_3g	758	737	0.00
16	B_3u	2018	1962	129.02
17	B_3u	1358	1321	968.16
18	B_3u	666	648	507.71

Atom	x (Å)	y (Å)	z (Å)
Ga1	1.303	0.000	0.000
Ga2	-1.303	0.000	0.000
H3	0.000	0.000	1.179
H4	0.000	0.000	-1.179
H5	1.952	1.414	0.000
H6	1.952	-1.414	0.000
H7	-1.952	1.414	0.000
H8	-1.952	-1.414	0.000

	Ga1	Ga2	H3	H4	H5	H6	H7	H8
Ga1		2.6056	1.7573	1.7573	1.5555	1.5555	3.5483	3.5483
Ga2	2.6056		1.7573	1.7573	3.5483	3.5483	1.5555	1.5555
H3	1.7573	1.7573		2.3587	2.6830	2.6830	2.6830	2.6830
H4	1.7573	1.7573	2.3587		2.6830	2.6830	2.6830	2.6830
H5	1.5555	3.5483	2.6830	2.6830		2.8273	3.9035	4.8199
H6	1.5555	3.5483	2.6830	2.6830	2.8273		4.8199	3.9035
H7	3.5483	1.5555	2.6830	2.6830	3.9035	4.8199		2.8273
H8	3.5483	1.5555	2.6830	2.6830	4.8199	3.9035	2.8273

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Ga1	Ga2	H3	42.153	Ga1	Ga2	H4	42.153
Ga1	Ga2	H7	114.658	Ga1	Ga2	H8	114.658
Ga1	H3	Ga2	95.694	Ga1	H4	Ga2	95.694
Ga2	Ga1	H3	42.153	Ga2	Ga1	H4	42.153
Ga2	Ga1	H5	114.658	Ga2	Ga1	H6	114.658
H3	Ga1	H4	84.306	H3	Ga1	H5	108.017
H3	Ga1	H6	108.017	H3	Ga2	H4	84.306
H3	Ga2	H7	108.017	H3	Ga2	H8	108.017
H4	Ga1	H5	108.017	H4	Ga1	H6	108.017
H4	Ga2	H7	108.017	H4	Ga2	H8	108.017
H5	Ga1	H6	130.683	H7	Ga2	H8	130.683

All results from a given calculation for Ga₂H₆ (digallane)

using model chemistry: TPSSh/cc-pVDZ

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	0.191
2	Ga	0.191
3	H	-0.062
4	H	-0.062
5	H	-0.065
6	H	-0.065
7	H	-0.065
8	H	-0.065

<r²>	155.287
(<r²>)^1/2	12.461

All results from a given calculation for Ga2H6 (digallane)

using model chemistry: TPSSh/cc-pVDZ

States and conformations

All results from a given calculation for Ga₂H₆ (digallane)