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	hartrees
Energy at 0K	-3848.775224
Energy at 298.15K	-3848.782602
HF Energy	-3848.775224
Nuclear repulsion energy	301.131367

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2062	1961	0.00
2	A_g	1500	1427	0.00
3	A_g	724	689	0.00
4	A_g	229	218	0.00
5	A_u	480	456	0.00
6	B_1g	2072	1971	0.00
7	B_1g	502	477	0.00
8	B_1u	1282	1219	178.72
9	B_1u	658	626	120.24
10	B_2g	1296	1232	0.00
11	B_2g	420	400	0.00
12	B_2u	2079	1977	311.61
13	B_2u	766	728	108.99
14	B_2u	219	208	3.98
15	B_3g	784	745	0.00
16	B_3u	2056	1955	133.68
17	B_3u	1284	1221	884.66
18	B_3u	661	629	491.66

Atom	x (Å)	y (Å)	z (Å)
Ga1	1.273	0.000	0.000
Ga2	-1.273	0.000	0.000
H3	0.000	0.000	1.196
H4	0.000	0.000	-1.196
H5	1.921	1.407	0.000
H6	1.921	-1.407	0.000
H7	-1.921	1.407	0.000
H8	-1.921	-1.407	0.000

	Ga1	Ga2	H3	H4	H5	H6	H7	H8
Ga1		2.5464	1.7470	1.7470	1.5485	1.5485	3.4899	3.4899
Ga2	2.5464		1.7470	1.7470	3.4899	3.4899	1.5485	1.5485
H3	1.7470	1.7470		2.3924	2.6643	2.6643	2.6643	2.6643
H4	1.7470	1.7470	2.3924		2.6643	2.6643	2.6643	2.6643
H5	1.5485	3.4899	2.6643	2.6643		2.8134	3.8412	4.7613
H6	1.5485	3.4899	2.6643	2.6643	2.8134		4.7613	3.8412
H7	3.4899	1.5485	2.6643	2.6643	3.8412	4.7613		2.8134
H8	3.4899	1.5485	2.6643	2.6643	4.7613	3.8412	2.8134

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Ga1	Ga2	H3	43.214	Ga1	Ga2	H4	43.214
Ga1	Ga2	H7	114.714	Ga1	Ga2	H8	114.714
Ga1	H3	Ga2	93.571	Ga1	H4	Ga2	93.571
Ga2	Ga1	H3	43.214	Ga2	Ga1	H4	43.214
Ga2	Ga1	H5	114.714	Ga2	Ga1	H6	114.714
H3	Ga1	H4	86.429	H3	Ga1	H5	107.740
H3	Ga1	H6	107.740	H3	Ga2	H4	86.429
H3	Ga2	H7	107.740	H3	Ga2	H8	107.740
H4	Ga1	H5	107.740	H4	Ga1	H6	107.740
H4	Ga2	H7	107.740	H4	Ga2	H8	107.740
H5	Ga1	H6	130.573	H7	Ga2	H8	130.573

All results from a given calculation for Ga₂H₆ (digallane)

using model chemistry: HSEh1PBE/6-31G*

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	-0.040
2	Ga	-0.040
3	H	0.013
4	H	0.013
5	H	0.013
6	H	0.013
7	H	0.013
8	H	0.013

<r²>	150.439
(<r²>)^1/2	12.265

All results from a given calculation for Ga2H6 (digallane)

using model chemistry: HSEh1PBE/6-31G*

States and conformations

All results from a given calculation for Ga₂H₆ (digallane)