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	hartrees
Energy at 0K	-3853.833444
Energy at 298.15K	-3853.840803
HF Energy	-3853.833444
Nuclear repulsion energy	297.278560

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2035	1948	0.00
2	A_g	1527	1461	0.00
3	A_g	733	701	0.00
4	A_g	233	223	0.00
5	A_u	460	440	0.00
6	B_1g	2043	1955	0.00
7	B_1g	477	456	0.00
8	B_1u	1293	1237	244.16
9	B_1u	649	621	132.49
10	B_2g	1344	1286	0.00
11	B_2g	415	397	0.00
12	B_2u	2050	1961	382.63
13	B_2u	760	727	136.65
14	B_2u	200	192	4.94
15	B_3g	757	725	0.00
16	B_3u	2030	1942	132.86
17	B_3u	1364	1306	1013.05
18	B_3u	675	646	529.24

Atom	x (Å)	y (Å)	z (Å)
Ga1	1.295	0.000	0.000
Ga2	-1.295	0.000	0.000
H3	0.000	0.000	1.180
H4	0.000	0.000	-1.180
H5	1.946	1.408	0.000
H6	1.946	-1.408	0.000
H7	-1.946	1.408	0.000
H8	-1.946	-1.408	0.000

	Ga1	Ga2	H3	H4	H5	H6	H7	H8
Ga1		2.5910	1.7525	1.7525	1.5506	1.5506	3.5339	3.5339
Ga2	2.5910		1.7525	1.7525	3.5339	3.5339	1.5506	1.5506
H3	1.7525	1.7525		2.3604	2.6760	2.6760	2.6760	2.6760
H4	1.7525	1.7525	2.3604		2.6760	2.6760	2.6760	2.6760
H5	1.5506	3.5339	2.6760	2.6760		2.8150	3.8920	4.8033
H6	1.5506	3.5339	2.6760	2.6760	2.8150		4.8033	3.8920
H7	3.5339	1.5506	2.6760	2.6760	3.8920	4.8033		2.8150
H8	3.5339	1.5506	2.6760	2.6760	4.8033	3.8920	2.8150

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Ga1	Ga2	H3	42.333	Ga1	Ga2	H4	42.333
Ga1	Ga2	H7	114.805	Ga1	Ga2	H8	114.805
Ga1	H3	Ga2	95.333	Ga1	H4	Ga2	95.333
Ga2	Ga1	H3	42.333	Ga2	Ga1	H4	42.333
Ga2	Ga1	H5	114.805	Ga2	Ga1	H6	114.805
H3	Ga1	H4	84.667	H3	Ga1	H5	108.067
H3	Ga1	H6	108.067	H3	Ga2	H4	84.667
H3	Ga2	H7	108.067	H3	Ga2	H8	108.067
H4	Ga1	H5	108.067	H4	Ga1	H6	108.067
H4	Ga2	H7	108.067	H4	Ga2	H8	108.067
H5	Ga1	H6	130.391	H7	Ga2	H8	130.391

All results from a given calculation for Ga₂H₆ (digallane)

using model chemistry: B1B95/TZVP

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	0.346
2	Ga	0.346
3	H	-0.124
4	H	-0.124
5	H	-0.111
6	H	-0.111
7	H	-0.111
8	H	-0.111

<r²>	154.129
(<r²>)^1/2	12.415

All results from a given calculation for Ga2H6 (digallane)

using model chemistry: B1B95/TZVP

States and conformations

All results from a given calculation for Ga₂H₆ (digallane)