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	hartrees
Energy at 0K	-3849.428570
Energy at 298.15K	-3849.435924
HF Energy	-3849.428570
Nuclear repulsion energy	298.178773

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2033	1948	0.00
2	A_g	1465	1404	0.00
3	A_g	728	697	0.00
4	A_g	222	213	0.00
5	A_u	474	454	0.00
6	B_1g	2043	1957	0.00
7	B_1g	502	481	0.00
8	B_1u	1230	1178	197.79
9	B_1u	656	628	116.47
10	B_2g	1249	1196	0.00
11	B_2g	395	379	0.00
12	B_2u	2049	1963	325.78
13	B_2u	780	747	120.30
14	B_2u	231	222	3.90
15	B_3g	787	754	0.00
16	B_3u	2028	1942	130.10
17	B_3u	1255	1202	939.81
18	B_3u	663	635	523.24

Atom	x (Å)	y (Å)	z (Å)
Ga1	1.290	0.000	0.000
Ga2	-1.290	0.000	0.000
H3	0.000	0.000	1.189
H4	0.000	0.000	-1.189
H5	1.939	1.407	0.000
H6	1.939	-1.407	0.000
H7	-1.939	1.407	0.000
H8	-1.939	-1.407	0.000

	Ga1	Ga2	H3	H4	H5	H6	H7	H8
Ga1		2.5796	1.7544	1.7544	1.5499	1.5499	3.5225	3.5225
Ga2	2.5796		1.7544	1.7544	3.5225	3.5225	1.5499	1.5499
H3	1.7544	1.7544		2.3785	2.6750	2.6750	2.6750	2.6750
H4	1.7544	1.7544	2.3785		2.6750	2.6750	2.6750	2.6750
H5	1.5499	3.5225	2.6750	2.6750		2.8145	3.8787	4.7923
H6	1.5499	3.5225	2.6750	2.6750	2.8145		4.7923	3.8787
H7	3.5225	1.5499	2.6750	2.6750	3.8787	4.7923		2.8145
H8	3.5225	1.5499	2.6750	2.6750	4.7923	3.8787	2.8145

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Ga1	Ga2	H3	42.678	Ga1	Ga2	H4	42.678
Ga1	Ga2	H7	114.777	Ga1	Ga2	H8	114.777
Ga1	H3	Ga2	94.645	Ga1	H4	Ga2	94.645
Ga2	Ga1	H3	42.678	Ga2	Ga1	H4	42.678
Ga2	Ga1	H5	114.777	Ga2	Ga1	H6	114.777
H3	Ga1	H4	85.355	H3	Ga1	H5	107.945
H3	Ga1	H6	107.945	H3	Ga2	H4	85.355
H3	Ga2	H7	107.945	H3	Ga2	H8	107.945
H4	Ga1	H5	107.945	H4	Ga1	H6	107.945
H4	Ga2	H7	107.945	H4	Ga2	H8	107.945
H5	Ga1	H6	130.446	H7	Ga2	H8	130.446

All results from a given calculation for Ga₂H₆ (digallane)

using model chemistry: B3LYPultrafine/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	-0.018
2	Ga	-0.018
3	H	-0.002
4	H	-0.002
5	H	0.010
6	H	0.010
7	H	0.010
8	H	0.010

<r²>	153.456
(<r²>)^1/2	12.388

All results from a given calculation for Ga2H6 (digallane)

using model chemistry: B3LYPultrafine/6-31G*

States and conformations

All results from a given calculation for Ga₂H₆ (digallane)