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	hartrees
Energy at 0K	-3849.301846
Energy at 298.15K	-3849.308985
HF Energy	-3849.301846
Nuclear repulsion energy	296.531680

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1979	1964	0.00
2	A_g	1448	1437	0.00
3	A_g	713	707	0.00
4	A_g	219	217	0.00
5	A_u	433	430	0.00
6	B_1g	1987	1972	0.00
7	B_1g	454	451	0.00
8	B_1u	1222	1213	268.40
9	B_1u	610	606	102.15
10	B_2g	1259	1249	0.00
11	B_2g	370	367	0.00
12	B_2u	1995	1980	396.09
13	B_2u	748	742	156.02
14	B_2u	196	195	3.76
15	B_3g	703	698	0.00
16	B_3u	1973	1958	136.82
17	B_3u	1282	1272	949.20
18	B_3u	659	654	496.57

Atom	x (Å)	y (Å)	z (Å)
Ga1	1.296	0.000	0.000
Ga2	-1.296	0.000	0.000
H3	0.000	0.000	1.189
H4	0.000	0.000	-1.189
H5	1.953	1.422	0.000
H6	1.953	-1.422	0.000
H7	-1.953	1.422	0.000
H8	-1.953	-1.422	0.000

	Ga1	Ga2	H3	H4	H5	H6	H7	H8
Ga1		2.5923	1.7587	1.7587	1.5663	1.5663	3.5468	3.5468
Ga2	2.5923		1.7587	1.7587	3.5468	3.5468	1.5663	1.5663
H3	1.7587	1.7587		2.3774	2.6925	2.6925	2.6925	2.6925
H4	1.7587	1.7587	2.3774		2.6925	2.6925	2.6925	2.6925
H5	1.5663	3.5468	2.6925	2.6925		2.8436	3.9065	4.8318
H6	1.5663	3.5468	2.6925	2.6925	2.8436		4.8318	3.9065
H7	3.5468	1.5663	2.6925	2.6925	3.9065	4.8318		2.8436
H8	3.5468	1.5663	2.6925	2.6925	4.8318	3.9065	2.8436

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Ga1	Ga2	H3	42.524	Ga1	Ga2	H4	42.524
Ga1	Ga2	H7	114.803	Ga1	Ga2	H8	114.803
Ga1	H3	Ga2	94.953	Ga1	H4	Ga2	94.953
Ga2	Ga1	H3	42.524	Ga2	Ga1	H4	42.524
Ga2	Ga1	H5	114.803	Ga2	Ga1	H6	114.803
H3	Ga1	H4	85.047	H3	Ga1	H5	108.009
H3	Ga1	H6	108.009	H3	Ga2	H4	85.047
H3	Ga2	H7	108.009	H3	Ga2	H8	108.009
H4	Ga1	H5	108.009	H4	Ga1	H6	108.009
H4	Ga2	H7	108.009	H4	Ga2	H8	108.009
H5	Ga1	H6	130.394	H7	Ga2	H8	130.394

All results from a given calculation for Ga₂H₆ (digallane)

using model chemistry: BLYP/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	0.360
2	Ga	0.360
3	H	-0.195
4	H	-0.195
5	H	-0.083
6	H	-0.083
7	H	-0.083
8	H	-0.083

<r²>	154.956
(<r²>)^1/2	12.448

All results from a given calculation for Ga2H6 (digallane)

using model chemistry: BLYP/6-31G

States and conformations

All results from a given calculation for Ga₂H₆ (digallane)