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	hartrees
Energy at 0K	-3850.020216
Energy at 298.15K	-3850.027459
HF Energy	-3849.853808
Nuclear repulsion energy	290.661982

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1959	1871	0.00
2	A_g	1437	1373	0.00
3	A_g	730	697	0.00
4	A_g	227	217	0.00
5	A_u	444	424	0.00
6	B_1g	1966	1878	0.00
7	B_1g	459	439	0.00
8	B_1u	1196	1143	257.30
9	B_1u	637	608	134.99
10	B_2g	1267	1210	0.00
11	B_2g	391	373	0.00
12	B_2u	1973	1884	338.03
13	B_2u	753	719	144.19
14	B_2u	199	190	5.94
15	B_3g	740	707	0.00
16	B_3u	1954	1866	120.69
17	B_3u	1319	1259	1146.61
18	B_3u	674	644	559.62

Atom	x (Å)	y (Å)	z (Å)
Ga1	1.328	0.000	0.000
Ga2	-1.328	0.000	0.000
H3	0.000	0.000	1.200
H4	0.000	0.000	-1.200
H5	1.981	1.434	0.000
H6	1.981	-1.434	0.000
H7	-1.981	1.434	0.000
H8	-1.981	-1.434	0.000

	Ga1	Ga2	H3	H4	H5	H6	H7	H8
Ga1		2.6550	1.7893	1.7893	1.5763	1.5763	3.6062	3.6062
Ga2	2.6550		1.7893	1.7893	3.6062	3.6062	1.5763	1.5763
H3	1.7893	1.7893		2.3995	2.7243	2.7243	2.7243	2.7243
H4	1.7893	1.7893	2.3995		2.7243	2.7243	2.7243	2.7243
H5	1.5763	3.6062	2.7243	2.7243		2.8688	3.9623	4.8918
H6	1.5763	3.6062	2.7243	2.7243	2.8688		4.8918	3.9623
H7	3.6062	1.5763	2.7243	2.7243	3.9623	4.8918		2.8688
H8	3.6062	1.5763	2.7243	2.7243	4.8918	3.9623	2.8688

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Ga1	Ga2	H3	42.106	Ga1	Ga2	H4	42.106
Ga1	Ga2	H7	114.499	Ga1	Ga2	H8	114.499
Ga1	H3	Ga2	95.788	Ga1	H4	Ga2	95.788
Ga2	Ga1	H3	42.106	Ga2	Ga1	H4	42.106
Ga2	Ga1	H5	114.499	Ga2	Ga1	H6	114.499
H3	Ga1	H4	84.212	H3	Ga1	H5	107.917
H3	Ga1	H6	107.917	H3	Ga2	H4	84.212
H3	Ga2	H7	107.917	H3	Ga2	H8	107.917
H4	Ga1	H5	107.917	H4	Ga1	H6	107.917
H4	Ga2	H7	107.917	H4	Ga2	H8	107.917
H5	Ga1	H6	131.003	H7	Ga2	H8	131.003

All results from a given calculation for Ga₂H₆ (digallane)

using model chemistry: CCD/6-311G*

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/6-311G*

States and conformations

All results from a given calculation for Ga₂H₆ (digallane)