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	hartrees
Energy at 0K	-520.295880
Energy at 298.15K	-520.303243
HF Energy	-520.295880
Nuclear repulsion energy	157.803817

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2027	1963	0.00
2	A_g	1499	1451	0.00
3	A_g	737	714	0.00
4	A_g	225	218	0.00
5	A_u	466	452	0.00
6	B_1g	2041	1977	0.00
7	B_1g	487	472	0.00
8	B_1u	1237	1198	240.24
9	B_1u	660	639	87.60
10	B_2g	1284	1244	0.00
11	B_2g	398	385	0.00
12	B_2u	2049	1984	326.56
13	B_2u	780	755	141.98
14	B_2u	228	221	2.20
15	B_3g	764	740	0.00
16	B_3u	2023	1960	104.68
17	B_3u	1326	1284	1062.85
18	B_3u	673	652	511.24

Atom	x (Å)	y (Å)	z (Å)
Ga1	1.315	0.000	0.000
Ga2	-1.315	0.000	0.000
H3	0.000	0.000	1.173
H4	0.000	0.000	-1.173
H5	1.956	1.412	0.000
H6	1.956	-1.412	0.000
H7	-1.956	1.412	0.000
H8	-1.956	-1.412	0.000

	Ga1	Ga2	H3	H4	H5	H6	H7	H8
Ga1		2.6291	1.7615	1.7615	1.5510	1.5510	3.5624	3.5624
Ga2	2.6291		1.7615	1.7615	3.5624	3.5624	1.5510	1.5510
H3	1.7615	1.7615		2.3452	2.6824	2.6824	2.6824	2.6824
H4	1.7615	1.7615	2.3452		2.6824	2.6824	2.6824	2.6824
H5	1.5510	3.5624	2.6824	2.6824		2.8242	3.9121	4.8250
H6	1.5510	3.5624	2.6824	2.6824	2.8242		4.8250	3.9121
H7	3.5624	1.5510	2.6824	2.6824	3.9121	4.8250		2.8242
H8	3.5624	1.5510	2.6824	2.6824	4.8250	3.9121	2.8242

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Ga1	Ga2	H3	41.733	Ga1	Ga2	H4	41.733
Ga1	Ga2	H7	114.431	Ga1	Ga2	H8	114.431
Ga1	H3	Ga2	96.533	Ga1	H4	Ga2	96.533
Ga2	Ga1	H3	41.733	Ga2	Ga1	H4	41.733
Ga2	Ga1	H5	114.431	Ga2	Ga1	H6	114.431
H3	Ga1	H4	83.467	H3	Ga1	H5	107.978
H3	Ga1	H6	107.978	H3	Ga2	H4	83.467
H3	Ga2	H7	107.978	H3	Ga2	H8	107.978
H4	Ga1	H5	107.978	H4	Ga1	H6	107.978
H4	Ga2	H7	107.978	H4	Ga2	H8	107.978
H5	Ga1	H6	131.138	H7	Ga2	H8	131.138

All results from a given calculation for Ga₂H₆ (digallane)

using model chemistry: B3LYP/CEP-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	0.159
2	Ga	0.159
3	H	-0.123
4	H	-0.123
5	H	-0.018
6	H	-0.018
7	H	-0.018
8	H	-0.018

<r²>	122.068
(<r²>)^1/2	11.048

All results from a given calculation for Ga2H6 (digallane)

using model chemistry: B3LYP/CEP-31G

States and conformations

All results from a given calculation for Ga₂H₆ (digallane)