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	hartrees
Energy at 0K	-3853.489986
Energy at 298.15K	-3853.497345
HF Energy	-3853.489986
Nuclear repulsion energy	297.831120

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2040	1951	0.00
2	A_g	1518	1452	0.00
3	A_g	741	709	0.00
4	A_g	235	225	0.00
5	A_u	454	435	0.00
6	B_1g	2042	1953	0.00
7	B_1g	478	457	0.00
8	B_1u	1259	1204	222.09
9	B_1u	652	623	122.93
10	B_2g	1301	1245	0.00
11	B_2g	386	369	0.00
12	B_2u	2048	1959	369.08
13	B_2u	776	742	125.84
14	B_2u	209	200	7.03
15	B_3g	767	734	0.00
16	B_3u	2034	1945	133.02
17	B_3u	1315	1258	1001.42
18	B_3u	680	651	552.12

Atom	x (Å)	y (Å)	z (Å)
Ga1	1.301	0.000	0.000
Ga2	-1.301	0.000	0.000
H3	0.000	0.000	1.172
H4	0.000	0.000	-1.172
H5	1.976	1.393	0.000
H6	1.976	-1.393	0.000
H7	-1.976	1.393	0.000
H8	-1.976	-1.393	0.000

	Ga1	Ga2	H3	H4	H5	H6	H7	H8
Ga1		2.6013	1.7508	1.7508	1.5482	1.5482	3.5609	3.5609
Ga2	2.6013		1.7508	1.7508	3.5609	3.5609	1.5482	1.5482
H3	1.7508	1.7508		2.3440	2.6871	2.6871	2.6871	2.6871
H4	1.7508	1.7508	2.3440		2.6871	2.6871	2.6871	2.6871
H5	1.5482	3.5609	2.6871	2.6871		2.7858	3.9530	4.8360
H6	1.5482	3.5609	2.6871	2.6871	2.7858		4.8360	3.9530
H7	3.5609	1.5482	2.6871	2.6871	3.9530	4.8360		2.7858
H8	3.5609	1.5482	2.6871	2.6871	4.8360	3.9530	2.7858

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Ga1	Ga2	H3	42.022	Ga1	Ga2	H4	42.022
Ga1	Ga2	H7	115.883	Ga1	Ga2	H8	115.883
Ga1	H3	Ga2	95.956	Ga1	H4	Ga2	95.956
Ga2	Ga1	H3	42.022	Ga2	Ga1	H4	42.022
Ga2	Ga1	H5	115.883	Ga2	Ga1	H6	115.883
H3	Ga1	H4	84.044	H3	Ga1	H5	108.923
H3	Ga1	H6	108.923	H3	Ga2	H4	84.044
H3	Ga2	H7	108.923	H3	Ga2	H8	108.923
H4	Ga1	H5	108.923	H4	Ga1	H6	108.923
H4	Ga2	H7	108.923	H4	Ga2	H8	108.923
H5	Ga1	H6	128.234	H7	Ga2	H8	128.234

All results from a given calculation for Ga₂H₆ (digallane)

using model chemistry: wB97X-D/aug-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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Number	Element	Mulliken
1	Ga	-0.681
2	Ga	-0.681
3	H	0.209
4	H	0.209
5	H	0.236
6	H	0.236
7	H	0.236
8	H	0.236

<r²>	153.664
(<r²>)^1/2	12.396

All results from a given calculation for Ga2H6 (digallane)

using model chemistry: wB97X-D/aug-cc-pVTZ

States and conformations

All results from a given calculation for Ga₂H₆ (digallane)