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	hartrees
Energy at 0K	-3846.042122
Energy at 298.15K	-3846.049434
HF Energy	-3845.895882
Nuclear repulsion energy	294.677949

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2011	1862	0.00
2	A_g	1451	1344	0.00
3	A_g	729	675	0.00
4	A_g	226	210	0.00
5	A_u	465	431	0.00
6	B_1g	2010	1861	0.00
7	B_1g	488	451	0.00
8	B_1u	1219	1129	231.00
9	B_1u	658	609	146.41
10	B_2g	1255	1162	0.00
11	B_2g	400	370	0.00
12	B_2u	2015	1866	323.35
13	B_2u	779	721	147.01
14	B_2u	207	192	5.18
15	B_3g	776	718	0.00
16	B_3u	2002	1854	137.09
17	B_3u	1284	1188	1083.15
18	B_3u	670	620	564.20

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	1.208
H4	0.000	0.000	-1.208
H5	1.965	1.426	0.000
H6	1.965	-1.426	0.000
H7	-1.965	1.426	0.000
H8	-1.965	-1.426	0.000

	Ga1	Ga2	H3	H4	H5	H6	H7	H8
Ga1		2.6082	1.7775	1.7775	1.5719	1.5719	3.5665	3.5665
Ga2	2.6082		1.7775	1.7775	3.5665	3.5665	1.5719	1.5719
H3	1.7775	1.7775		2.4158	2.7117	2.7117	2.7117	2.7117
H4	1.7775	1.7775	2.4158		2.7117	2.7117	2.7117	2.7117
H5	1.5719	3.5665	2.7117	2.7117		2.8525	3.9295	4.8557
H6	1.5719	3.5665	2.7117	2.7117	2.8525		4.8557	3.9295
H7	3.5665	1.5719	2.7117	2.7117	3.9295	4.8557		2.8525
H8	3.5665	1.5719	2.7117	2.7117	4.8557	3.9295	2.8525

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Ga1	Ga2	H3	42.808	Ga1	Ga2	H4	42.808
Ga1	Ga2	H7	114.855	Ga1	Ga2	H8	114.855
Ga1	H3	Ga2	94.385	Ga1	H4	Ga2	94.385
Ga2	Ga1	H3	42.808	Ga2	Ga1	H4	42.808
Ga2	Ga1	H5	114.855	Ga2	Ga1	H6	114.855
H3	Ga1	H4	85.615	H3	Ga1	H5	107.961
H3	Ga1	H6	107.961	H3	Ga2	H4	85.615
H3	Ga2	H7	107.961	H3	Ga2	H8	107.961
H4	Ga1	H5	107.961	H4	Ga1	H6	107.961
H4	Ga2	H7	107.961	H4	Ga2	H8	107.961
H5	Ga1	H6	130.290	H7	Ga2	H8	130.290

All results from a given calculation for Ga₂H₆ (digallane)

using model chemistry: CISD/6-31G*

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: CISD/6-31G*

States and conformations

All results from a given calculation for Ga₂H₆ (digallane)