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	hartrees
Energy at 0K	-3850.456773
Energy at 298.15K	-3850.464352
HF Energy	-3850.028138
Nuclear repulsion energy	300.475572

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2067	1978	0.00
2	A_g	1609	1540	0.00
3	A_g	766	733	0.00
4	A_g	242	232	0.00
5	A_u	479	459	0.00
6	B_1g	2071	1982	0.00
7	B_1g	494	473	0.00
8	B_1u	1369	1310	239.36
9	B_1u	659	630	147.91
10	B_2g	1436	1375	0.00
11	B_2g	461	441	0.00
12	B_2u	2078	1988	354.69
13	B_2u	846	809	143.72
14	B_2u	222	212	8.85
15	B_3g	816	781	0.00
16	B_3u	2059	1970	145.21
17	B_3u	1474	1410	1105.66
18	B_3u	710	680	516.97

Atom	x (Å)	y (Å)	z (Å)
Ga1	1.280	0.000	0.000
Ga2	-1.280	0.000	0.000
H3	0.000	0.000	1.157
H4	0.000	0.000	-1.157
H5	1.939	1.397	0.000
H6	1.939	-1.397	0.000
H7	-1.939	1.397	0.000
H8	-1.939	-1.397	0.000

	Ga1	Ga2	H3	H4	H5	H6	H7	H8
Ga1		2.5608	1.7258	1.7258	1.5447	1.5447	3.5099	3.5099
Ga2	2.5608		1.7258	1.7258	3.5099	3.5099	1.5447	1.5447
H3	1.7258	1.7258		2.3144	2.6556	2.6556	2.6556	2.6556
H4	1.7258	1.7258	2.3144		2.6556	2.6556	2.6556	2.6556
H5	1.5447	3.5099	2.6556	2.6556		2.7942	3.8788	4.7804
H6	1.5447	3.5099	2.6556	2.6556	2.7942		4.7804	3.8788
H7	3.5099	1.5447	2.6556	2.6556	3.8788	4.7804		2.7942
H8	3.5099	1.5447	2.6556	2.6556	4.7804	3.8788	2.7942

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Ga1	Ga2	H3	42.106	Ga1	Ga2	H4	42.106
Ga1	Ga2	H7	115.253	Ga1	Ga2	H8	115.253
Ga1	H3	Ga2	95.788	Ga1	H4	Ga2	95.788
Ga2	Ga1	H3	42.106	Ga2	Ga1	H4	42.106
Ga2	Ga1	H5	115.253	Ga2	Ga1	H6	115.253
H3	Ga1	H4	84.212	H3	Ga1	H5	108.452
H3	Ga1	H6	108.452	H3	Ga2	H4	84.212
H3	Ga2	H7	108.452	H3	Ga2	H8	108.452
H4	Ga1	H5	108.452	H4	Ga1	H6	108.452
H4	Ga2	H7	108.452	H4	Ga2	H8	108.452
H5	Ga1	H6	129.493	H7	Ga2	H8	129.493

All results from a given calculation for Ga₂H₆ (digallane)

using model chemistry: CCD/aug-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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All results from a given calculation for Ga2H6 (digallane)

using model chemistry: CCD/aug-cc-pVTZ

States and conformations

All results from a given calculation for Ga₂H₆ (digallane)