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	hartrees
Energy at 0K	-3830.094471
Energy at 298.15K	-3830.101539
HF Energy	-3830.094471
Nuclear repulsion energy	300.730243

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1948	1913	0.00
2	A_g	1506	1479	0.00
3	A_g	685	673	0.00
4	A_g	230	226	0.00
5	A_u	435	427	0.00
6	B_1g	1966	1930	0.00
7	B_1g	463	455	0.00
8	B_1u	1327	1303	105.75
9	B_1u	596	585	58.40
10	B_2g	1332	1308	0.00
11	B_2g	390	383	0.00
12	B_2u	1973	1937	230.68
13	B_2u	684	672	62.58
14	B_2u	150	147	3.24
15	B_3g	707	694	0.00
16	B_3u	1945	1910	100.50
17	B_3u	1311	1287	782.22
18	B_3u	633	621	312.75

Atom	x (Å)	y (Å)	z (Å)
Ga1	1.271	0.000	0.000
Ga2	-1.271	0.000	0.000
H3	0.000	0.000	1.215
H4	0.000	0.000	-1.215
H5	1.924	1.422	0.000
H6	1.924	-1.422	0.000
H7	-1.924	1.422	0.000
H8	-1.924	-1.422	0.000

	Ga1	Ga2	H3	H4	H5	H6	H7	H8
Ga1		2.5419	1.7584	1.7584	1.5652	1.5652	3.4974	3.4974
Ga2	2.5419		1.7584	1.7584	3.4974	3.4974	1.5652	1.5652
H3	1.7584	1.7584		2.4304	2.6837	2.6837	2.6837	2.6837
H4	1.7584	1.7584	2.4304		2.6837	2.6837	2.6837	2.6837
H5	1.5652	3.4974	2.6837	2.6837		2.8448	3.8484	4.7856
H6	1.5652	3.4974	2.6837	2.6837	2.8448		4.7856	3.8484
H7	3.4974	1.5652	2.6837	2.6837	3.8484	4.7856		2.8448
H8	3.4974	1.5652	2.6837	2.6837	4.7856	3.8484	2.8448

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Ga1	Ga2	H3	43.716	Ga1	Ga2	H4	43.716
Ga1	Ga2	H7	114.667	Ga1	Ga2	H8	114.667
Ga1	H3	Ga2	92.568	Ga1	H4	Ga2	92.568
Ga2	Ga1	H3	43.716	Ga2	Ga1	H4	43.716
Ga2	Ga1	H5	114.667	Ga2	Ga1	H6	114.667
H3	Ga1	H4	87.432	H3	Ga1	H5	107.557
H3	Ga1	H6	107.557	H3	Ga2	H4	87.432
H3	Ga2	H7	107.557	H3	Ga2	H8	107.557
H4	Ga1	H5	107.557	H4	Ga1	H6	107.557
H4	Ga2	H7	107.557	H4	Ga2	H8	107.557
H5	Ga1	H6	130.665	H7	Ga2	H8	130.665

All results from a given calculation for Ga₂H₆ (digallane)

using model chemistry: LSDA/3-21G*

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	-0.265
2	Ga	-0.265
3	H	0.079
4	H	0.079
5	H	0.093
6	H	0.093
7	H	0.093
8	H	0.093

<r²>	150.122
(<r²>)^1/2	12.252

All results from a given calculation for Ga2H6 (digallane)

using model chemistry: LSDA/3-21G*

States and conformations

All results from a given calculation for Ga₂H₆ (digallane)