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	hartrees
Energy at 0K	-3850.387441
Energy at 298.15K	-3850.394906
HF Energy	-3849.948889
Nuclear repulsion energy	296.838410

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2074	1940	0.00
2	A_g	1572	1470	0.00
3	A_g	763	714	0.00
4	A_g	243	227	0.00
5	A_u	462	432	0.00
6	B_1g	2079	1944	0.00
7	B_1g	479	448	0.00
8	B_1u	1291	1208	286.93
9	B_1u	662	619	161.71
10	B_2g	1352	1264	0.00
11	B_2g	412	386	0.00
12	B_2u	2084	1949	378.17
13	B_2u	802	750	170.67
14	B_2u	222	207	7.45
15	B_3g	778	727	0.00
16	B_3u	2067	1933	126.99
17	B_3u	1398	1307	1171.17
18	B_3u	707	662	591.16

Atom	x (Å)	y (Å)	z (Å)
Ga1	1.300	0.000	0.000
Ga2	-1.300	0.000	0.000
H3	0.000	0.000	1.166
H4	0.000	0.000	-1.166
H5	1.950	1.402	0.000
H6	1.950	-1.402	0.000
H7	-1.950	1.402	0.000
H8	-1.950	-1.402	0.000

	Ga1	Ga2	H3	H4	H5	H6	H7	H8
Ga1		2.5999	1.7463	1.7463	1.5458	1.5458	3.5398	3.5398
Ga2	2.5999		1.7463	1.7463	3.5398	3.5398	1.5458	1.5458
H3	1.7463	1.7463		2.3321	2.6701	2.6701	2.6701	2.6701
H4	1.7463	1.7463	2.3321		2.6701	2.6701	2.6701	2.6701
H5	1.5458	3.5398	2.6701	2.6701		2.8049	3.9003	4.8041
H6	1.5458	3.5398	2.6701	2.6701	2.8049		4.8041	3.9003
H7	3.5398	1.5458	2.6701	2.6701	3.9003	4.8041		2.8049
H8	3.5398	1.5458	2.6701	2.6701	4.8041	3.9003	2.8049

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Ga1	Ga2	H3	41.892	Ga1	Ga2	H4	41.892
Ga1	Ga2	H7	114.872	Ga1	Ga2	H8	114.872
Ga1	H3	Ga2	96.216	Ga1	H4	Ga2	96.216
Ga2	Ga1	H3	41.892	Ga2	Ga1	H4	41.892
Ga2	Ga1	H5	114.872	Ga2	Ga1	H6	114.872
H3	Ga1	H4	83.784	H3	Ga1	H5	108.246
H3	Ga1	H6	108.246	H3	Ga2	H4	83.784
H3	Ga2	H7	108.246	H3	Ga2	H8	108.246
H4	Ga1	H5	108.246	H4	Ga1	H6	108.246
H4	Ga2	H7	108.246	H4	Ga2	H8	108.246
H5	Ga1	H6	130.255	H7	Ga2	H8	130.255

All results from a given calculation for Ga₂H₆ (digallane)

using model chemistry: MP3/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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All results from a given calculation for Ga2H6 (digallane)

using model chemistry: MP3/TZVP

States and conformations

All results from a given calculation for Ga₂H₆ (digallane)