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	hartrees
Energy at 0K	-3853.412422
Energy at 298.15K	-3853.419796
HF Energy	-3853.412422
Nuclear repulsion energy	297.393227

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2035	1944	0.00
2	A_g	1518	1450	0.00
3	A_g	743	710	0.00
4	A_g	236	226	0.00
5	A_u	461	440	0.00
6	B_1g	2038	1946	0.00
7	B_1g	484	462	0.00
8	B_1u	1258	1202	258.68
9	B_1u	654	625	128.98
10	B_2g	1298	1240	0.00
11	B_2g	391	373	0.00
12	B_2u	2044	1952	400.31
13	B_2u	783	747	144.83
14	B_2u	208	199	6.56
15	B_3g	772	738	0.00
16	B_3u	2028	1937	136.89
17	B_3u	1317	1258	1042.82
18	B_3u	683	652	569.63

Atom	x (Å)	y (Å)	z (Å)
Ga1	1.302	0.000	0.000
Ga2	-1.302	0.000	0.000
H3	0.000	0.000	1.173
H4	0.000	0.000	-1.173
H5	1.979	1.396	0.000
H6	1.979	-1.396	0.000
H7	-1.979	1.396	0.000
H8	-1.979	-1.396	0.000

	Ga1	Ga2	H3	H4	H5	H6	H7	H8
Ga1		2.6035	1.7522	1.7522	1.5515	1.5515	3.5650	3.5650
Ga2	2.6035		1.7522	1.7522	3.5650	3.5650	1.5515	1.5515
H3	1.7522	1.7522		2.3457	2.6906	2.6906	2.6906	2.6906
H4	1.7522	1.7522	2.3457		2.6906	2.6906	2.6906	2.6906
H5	1.5515	3.5650	2.6906	2.6906		2.7922	3.9570	4.8430
H6	1.5515	3.5650	2.6906	2.6906	2.7922		4.8430	3.9570
H7	3.5650	1.5515	2.6906	2.6906	3.9570	4.8430		2.7922
H8	3.5650	1.5515	2.6906	2.6906	4.8430	3.9570	2.7922

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Ga1	Ga2	H3	42.018	Ga1	Ga2	H4	42.018
Ga1	Ga2	H7	115.862	Ga1	Ga2	H8	115.862
Ga1	H3	Ga2	95.964	Ga1	H4	Ga2	95.964
Ga2	Ga1	H3	42.018	Ga2	Ga1	H4	42.018
Ga2	Ga1	H5	115.862	Ga2	Ga1	H6	115.862
H3	Ga1	H4	84.036	H3	Ga1	H5	108.910
H3	Ga1	H6	108.910	H3	Ga2	H4	84.036
H3	Ga2	H7	108.910	H3	Ga2	H8	108.910
H4	Ga1	H5	108.910	H4	Ga1	H6	108.910
H4	Ga2	H7	108.910	H4	Ga2	H8	108.910
H5	Ga1	H6	128.276	H7	Ga2	H8	128.276

All results from a given calculation for Ga₂H₆ (digallane)

using model chemistry: wB97X-D/TZVP

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	0.384
2	Ga	0.384
3	H	-0.149
4	H	-0.149
5	H	-0.118
6	H	-0.118
7	H	-0.118
8	H	-0.118

<r²>	154.087
(<r²>)^1/2	12.413

All results from a given calculation for Ga2H6 (digallane)

using model chemistry: wB97X-D/TZVP

States and conformations

All results from a given calculation for Ga₂H₆ (digallane)