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	hartrees
Energy at 0K	-3850.436889
Energy at 298.15K	-3850.444484
HF Energy	-3850.027593
Nuclear repulsion energy	300.816769

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2084	1945	0.00
2	A_g	1633	1525	0.00
3	A_g	764	714	0.00
4	A_g	247	230	0.00
5	A_u	479	448	0.00
6	B_1g	2090	1951	0.00
7	B_1g	498	465	0.00
8	B_1u	1382	1290	242.75
9	B_1u	658	615	157.51
10	B_2g	1439	1343	0.00
11	B_2g	448	418	0.00
12	B_2u	2095	1956	360.92
13	B_2u	842	786	147.80
14	B_2u	236	221	9.76
15	B_3g	810	757	0.00
16	B_3u	2076	1938	147.05
17	B_3u	1465	1368	1095.27
18	B_3u	712	665	524.35

Atom	x (Å)	y (Å)	z (Å)
Ga1	1.277	0.000	0.000
Ga2	-1.277	0.000	0.000
H3	0.000	0.000	1.165
H4	0.000	0.000	-1.165
H5	1.944	1.398	0.000
H6	1.944	-1.398	0.000
H7	-1.944	1.398	0.000
H8	-1.944	-1.398	0.000

	Ga1	Ga2	H3	H4	H5	H6	H7	H8
Ga1		2.5542	1.7284	1.7284	1.5485	1.5485	3.5109	3.5109
Ga2	2.5542		1.7284	1.7284	3.5109	3.5109	1.5485	1.5485
H3	1.7284	1.7284		2.3294	2.6623	2.6623	2.6623	2.6623
H4	1.7284	1.7284	2.3294		2.6623	2.6623	2.6623	2.6623
H5	1.5485	3.5109	2.6623	2.6623		2.7954	3.8872	4.7880
H6	1.5485	3.5109	2.6623	2.6623	2.7954		4.7880	3.8872
H7	3.5109	1.5485	2.6623	2.6623	3.8872	4.7880		2.7954
H8	3.5109	1.5485	2.6623	2.6623	4.7880	3.8872	2.7954

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Ga1	Ga2	H3	42.364	Ga1	Ga2	H4	42.364
Ga1	Ga2	H7	115.494	Ga1	Ga2	H8	115.494
Ga1	H3	Ga2	95.272	Ga1	H4	Ga2	95.272
Ga2	Ga1	H3	42.364	Ga2	Ga1	H4	42.364
Ga2	Ga1	H5	115.494	Ga2	Ga1	H6	115.494
H3	Ga1	H4	84.728	H3	Ga1	H5	108.544
H3	Ga1	H6	108.544	H3	Ga2	H4	84.728
H3	Ga2	H7	108.544	H3	Ga2	H8	108.544
H4	Ga1	H5	108.544	H4	Ga1	H6	108.544
H4	Ga2	H7	108.544	H4	Ga2	H8	108.544
H5	Ga1	H6	129.011	H7	Ga2	H8	129.011

All results from a given calculation for Ga₂H₆ (digallane)

using model chemistry: CCD/cc-pVTZ

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: CCD/cc-pVTZ

States and conformations

All results from a given calculation for Ga₂H₆ (digallane)