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	hartrees
Energy at 0K	-3848.530732
Energy at 298.15K	-3848.538080
HF Energy	-3848.530732
Nuclear repulsion energy	302.246513

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2014	1990	0.00
2	A_g	1543	1524	0.00
3	A_g	709	701	0.00
4	A_g	235	232	0.00
5	A_u	470	465	0.00
6	B_1g	2033	2008	0.00
7	B_1g	481	475	0.00
8	B_1u	1319	1303	130.50
9	B_1u	636	628	83.01
10	B_2g	1371	1354	0.00
11	B_2g	439	434	0.00
12	B_2u	2040	2015	253.23
13	B_2u	709	701	79.51
14	B_2u	206	203	4.46
15	B_3g	732	723	0.00
16	B_3u	2012	1987	104.81
17	B_3u	1349	1333	735.87
18	B_3u	652	644	383.92

Atom	x (Å)	y (Å)	z (Å)
Ga1	1.270	0.000	0.000
Ga2	-1.270	0.000	0.000
H3	0.000	0.000	1.176
H4	0.000	0.000	-1.176
H5	1.910	1.405	0.000
H6	1.910	-1.405	0.000
H7	-1.910	1.405	0.000
H8	-1.910	-1.405	0.000

	Ga1	Ga2	H3	H4	H5	H6	H7	H8
Ga1		2.5395	1.7308	1.7308	1.5439	1.5439	3.4762	3.4762
Ga2	2.5395		1.7308	1.7308	3.4762	3.4762	1.5439	1.5439
H3	1.7308	1.7308		2.3524	2.6467	2.6467	2.6467	2.6467
H4	1.7308	1.7308	2.3524		2.6467	2.6467	2.6467	2.6467
H5	1.5439	3.4762	2.6467	2.6467		2.8098	3.8199	4.7420
H6	1.5439	3.4762	2.6467	2.6467	2.8098		4.7420	3.8199
H7	3.4762	1.5439	2.6467	2.6467	3.8199	4.7420		2.8098
H8	3.4762	1.5439	2.6467	2.6467	4.7420	3.8199	2.8098

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Ga1	Ga2	H3	42.810	Ga1	Ga2	H4	42.810
Ga1	Ga2	H7	114.499	Ga1	Ga2	H8	114.499
Ga1	H3	Ga2	94.379	Ga1	H4	Ga2	94.379
Ga2	Ga1	H3	42.810	Ga2	Ga1	H4	42.810
Ga2	Ga1	H5	114.499	Ga2	Ga1	H6	114.499
H3	Ga1	H4	85.621	H3	Ga1	H5	107.711
H3	Ga1	H6	107.711	H3	Ga2	H4	85.621
H3	Ga2	H7	107.711	H3	Ga2	H8	107.711
H4	Ga1	H5	107.711	H4	Ga1	H6	107.711
H4	Ga2	H7	107.711	H4	Ga2	H8	107.711
H5	Ga1	H6	131.002	H7	Ga2	H8	131.002

All results from a given calculation for Ga₂H₆ (digallane)

using model chemistry: LSDA/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	0.211
2	Ga	0.211
3	H	-0.062
4	H	-0.062
5	H	-0.075
6	H	-0.075
7	H	-0.075
8	H	-0.075

<r²>	149.230
(<r²>)^1/2	12.216

All results from a given calculation for Ga2H6 (digallane)

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

States and conformations

All results from a given calculation for Ga₂H₆ (digallane)