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	hartrees
Energy at 0K	-3850.135302
Energy at 298.15K	-3850.142728
HF Energy	-3849.881917
Nuclear repulsion energy	294.705527

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2011	1924	0.00
2	A_g	1539	1473	0.00
3	A_g	750	718	0.00
4	A_g	240	230	0.00
5	A_u	459	439	0.00
6	B_1g	2014	1927	0.00
7	B_1g	480	459	0.00
8	B_1u	1262	1208	290.25
9	B_1u	656	628	161.22
10	B_2g	1328	1271	0.00
11	B_2g	400	383	0.00
12	B_2u	2019	1932	338.94
13	B_2u	807	772	168.85
14	B_2u	220	211	7.49
15	B_3g	780	746	0.00
16	B_3u	2006	1919	119.71
17	B_3u	1380	1321	1162.84
18	B_3u	695	665	584.54

Atom	x (Å)	y (Å)	z (Å)
Ga1	1.309	0.000	0.000
Ga2	-1.309	0.000	0.000
H3	0.000	0.000	1.176
H4	0.000	0.000	-1.176
H5	1.970	1.410	0.000
H6	1.970	-1.410	0.000
H7	-1.970	1.410	0.000
H8	-1.970	-1.410	0.000

	Ga1	Ga2	H3	H4	H5	H6	H7	H8
Ga1		2.6180	1.7600	1.7600	1.5573	1.5573	3.5696	3.5696
Ga2	2.6180		1.7600	1.7600	3.5696	3.5696	1.5573	1.5573
H3	1.7600	1.7600		2.3528	2.6933	2.6933	2.6933	2.6933
H4	1.7600	1.7600	2.3528		2.6933	2.6933	2.6933	2.6933
H5	1.5573	3.5696	2.6933	2.6933		2.8198	3.9406	4.8456
H6	1.5573	3.5696	2.6933	2.6933	2.8198		4.8456	3.9406
H7	3.5696	1.5573	2.6933	2.6933	3.9406	4.8456		2.8198
H8	3.5696	1.5573	2.6933	2.6933	4.8456	3.9406	2.8198

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Ga1	Ga2	H3	41.946	Ga1	Ga2	H4	41.946
Ga1	Ga2	H7	115.128	Ga1	Ga2	H8	115.128
Ga1	H3	Ga2	96.108	Ga1	H4	Ga2	96.108
Ga2	Ga1	H3	41.946	Ga2	Ga1	H4	41.946
Ga2	Ga1	H5	115.128	Ga2	Ga1	H6	115.128
H3	Ga1	H4	83.892	H3	Ga1	H5	108.411
H3	Ga1	H6	108.411	H3	Ga2	H4	83.892
H3	Ga2	H7	108.411	H3	Ga2	H8	108.411
H4	Ga1	H5	108.411	H4	Ga1	H6	108.411
H4	Ga2	H7	108.411	H4	Ga2	H8	108.411
H5	Ga1	H6	129.744	H7	Ga2	H8	129.744

All results from a given calculation for Ga₂H₆ (digallane)

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

using model chemistry: CCD/cc-pVDZ

States and conformations

All results from a given calculation for Ga₂H₆ (digallane)