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	hartrees
Energy at 0K	-3853.760153
Energy at 298.15K	-3853.767535
HF Energy	-3853.760153
Nuclear repulsion energy	297.882809

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2043	1961	0.00
2	A_g	1541	1480	0.00
3	A_g	734	704	0.00
4	A_g	234	225	0.00
5	A_u	460	442	0.00
6	B_1g	2051	1969	0.00
7	B_1g	478	458	0.00
8	B_1u	1299	1247	222.17
9	B_1u	651	625	130.28
10	B_2g	1346	1293	0.00
11	B_2g	416	400	0.00
12	B_2u	2058	1976	362.56
13	B_2u	766	736	125.92
14	B_2u	208	200	5.47
15	B_3g	765	735	0.00
16	B_3u	2038	1956	132.31
17	B_3u	1365	1310	980.74
18	B_3u	674	647	523.77

Atom	x (Å)	y (Å)	z (Å)
Ga1	1.293	0.000	0.000
Ga2	-1.293	0.000	0.000
H3	0.000	0.000	1.178
H4	0.000	0.000	-1.178
H5	1.942	1.405	0.000
H6	1.942	-1.405	0.000
H7	-1.942	1.405	0.000
H8	-1.942	-1.405	0.000

	Ga1	Ga2	H3	H4	H5	H6	H7	H8
Ga1		2.5855	1.7489	1.7489	1.5480	1.5480	3.5271	3.5271
Ga2	2.5855		1.7489	1.7489	3.5271	3.5271	1.5480	1.5480
H3	1.7489	1.7489		2.3559	2.6711	2.6711	2.6711	2.6711
H4	1.7489	1.7489	2.3559		2.6711	2.6711	2.6711	2.6711
H5	1.5480	3.5271	2.6711	2.6711		2.8102	3.8849	4.7947
H6	1.5480	3.5271	2.6711	2.6711	2.8102		4.7947	3.8849
H7	3.5271	1.5480	2.6711	2.6711	3.8849	4.7947		2.8102
H8	3.5271	1.5480	2.6711	2.6711	4.7947	3.8849	2.8102

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Ga1	Ga2	H3	42.341	Ga1	Ga2	H4	42.341
Ga1	Ga2	H7	114.816	Ga1	Ga2	H8	114.816
Ga1	H3	Ga2	95.318	Ga1	H4	Ga2	95.318
Ga2	Ga1	H3	42.341	Ga2	Ga1	H4	42.341
Ga2	Ga1	H5	114.816	Ga2	Ga1	H6	114.816
H3	Ga1	H4	84.682	H3	Ga1	H5	108.073
H3	Ga1	H6	108.073	H3	Ga2	H4	84.682
H3	Ga2	H7	108.073	H3	Ga2	H8	108.073
H4	Ga1	H5	108.073	H4	Ga1	H6	108.073
H4	Ga2	H7	108.073	H4	Ga2	H8	108.073
H5	Ga1	H6	130.369	H7	Ga2	H8	130.369

All results from a given calculation for Ga₂H₆ (digallane)

using model chemistry: B1B95/6-311G**

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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Number	Element	Mulliken
1	Ga	0.328
2	Ga	0.328
3	H	-0.101
4	H	-0.101
5	H	-0.113
6	H	-0.113
7	H	-0.113
8	H	-0.113

<r²>	153.529
(<r²>)^1/2	12.391

All results from a given calculation for Ga2H6 (digallane)

using model chemistry: B1B95/6-311G**

States and conformations

All results from a given calculation for Ga₂H₆ (digallane)