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	hartrees
Energy at 0K	-3831.615403
Energy at 298.15K	-3831.622776
HF Energy	-3831.445665
Nuclear repulsion energy	294.281263

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1980	1884	0.00
2	A_g	1526	1452	0.00
3	A_g	740	704	0.00
4	A_g	238	226	0.00
5	A_u	465	442	0.00
6	B_1g	1985	1888	0.00
7	B_1g	484	461	0.00
8	B_1u	1310	1247	207.16
9	B_1u	650	618	126.92
10	B_2g	1338	1273	0.00
11	B_2g	410	390	0.00
12	B_2u	1990	1893	305.04
13	B_2u	778	740	137.63
14	B_2u	203	193	4.84
15	B_3g	772	734	0.00
16	B_3u	1974	1878	117.94
17	B_3u	1368	1302	1135.40
18	B_3u	689	656	479.43

Atom	x (Å)	y (Å)	z (Å)
Ga1	1.304	0.000	0.000
Ga2	-1.304	0.000	0.000
H3	0.000	0.000	1.217
H4	0.000	0.000	-1.217
H5	1.979	1.429	0.000
H6	1.979	-1.429	0.000
H7	-1.979	1.429	0.000
H8	-1.979	-1.429	0.000

	Ga1	Ga2	H3	H4	H5	H6	H7	H8
Ga1		2.6076	1.7833	1.7833	1.5806	1.5806	3.5807	3.5807
Ga2	2.6076		1.7833	1.7833	3.5807	3.5807	1.5806	1.5806
H3	1.7833	1.7833		2.4332	2.7276	2.7276	2.7276	2.7276
H4	1.7833	1.7833	2.4332		2.7276	2.7276	2.7276	2.7276
H5	1.5806	3.5807	2.7276	2.7276		2.8579	3.9587	4.8825
H6	1.5806	3.5807	2.7276	2.7276	2.8579		4.8825	3.9587
H7	3.5807	1.5806	2.7276	2.7276	3.9587	4.8825		2.8579
H8	3.5807	1.5806	2.7276	2.7276	4.8825	3.9587	2.8579

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Ga1	Ga2	H3	43.018	Ga1	Ga2	H4	43.018
Ga1	Ga2	H7	115.303	Ga1	Ga2	H8	115.303
Ga1	H3	Ga2	93.964	Ga1	H4	Ga2	93.964
Ga2	Ga1	H3	43.018	Ga2	Ga1	H4	43.018
Ga2	Ga1	H5	115.303	Ga2	Ga1	H6	115.303
H3	Ga1	H4	86.036	H3	Ga1	H5	108.209
H3	Ga1	H6	108.209	H3	Ga2	H4	86.036
H3	Ga2	H7	108.209	H3	Ga2	H8	108.209
H4	Ga1	H5	108.209	H4	Ga1	H6	108.209
H4	Ga2	H7	108.209	H4	Ga2	H8	108.209
H5	Ga1	H6	129.394	H7	Ga2	H8	129.394

All results from a given calculation for Ga₂H₆ (digallane)

using model chemistry: MP2/3-21G*

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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All results from a given calculation for Ga2H6 (digallane)

using model chemistry: MP2/3-21G*

States and conformations

All results from a given calculation for Ga₂H₆ (digallane)