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	hartrees
Energy at 0K	-3853.186429
Energy at 298.15K	-3853.193564
HF Energy	-3853.186429
Nuclear repulsion energy	292.091370

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2017	2017	0.00
2	A_g	1515	1515	0.00
3	A_g	719	719	0.00
4	A_g	231	231	0.00
5	A_u	396	396	0.00
6	B_1g	2016	2016	0.00
7	B_1g	450	450	0.00
8	B_1u	1244	1244	278.00
9	B_1u	611	611	152.12
10	B_2g	1311	1311	0.00
11	B_2g	357	357	0.00
12	B_2u	2022	2022	410.18
13	B_2u	797	797	163.77
14	B_2u	162	162	8.43
15	B_3g	764	764	0.00
16	B_3u	2011	2011	132.89
17	B_3u	1374	1374	1124.21
18	B_3u	662	662	590.35

Atom	x (Å)	y (Å)	z (Å)
Ga1	1.323	0.000	0.000
Ga2	-1.323	0.000	0.000
H3	0.000	0.000	1.177
H4	0.000	0.000	-1.177
H5	1.983	1.419	0.000
H6	1.983	-1.419	0.000
H7	-1.983	1.419	0.000
H8	-1.983	-1.419	0.000

	Ga1	Ga2	H3	H4	H5	H6	H7	H8
Ga1		2.6457	1.7706	1.7706	1.5648	1.5648	3.5974	3.5974
Ga2	2.6457		1.7706	1.7706	3.5974	3.5974	1.5648	1.5648
H3	1.7706	1.7706		2.3538	2.7074	2.7074	2.7074	2.7074
H4	1.7706	1.7706	2.3538		2.7074	2.7074	2.7074	2.7074
H5	1.5648	3.5974	2.7074	2.7074		2.8377	3.9658	4.8764
H6	1.5648	3.5974	2.7074	2.7074	2.8377		4.8764	3.9658
H7	3.5974	1.5648	2.7074	2.7074	3.9658	4.8764		2.8377
H8	3.5974	1.5648	2.7074	2.7074	4.8764	3.9658	2.8377

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Ga1	Ga2	H3	41.658	Ga1	Ga2	H4	41.658
Ga1	Ga2	H7	114.947	Ga1	Ga2	H8	114.947
Ga1	H3	Ga2	96.684	Ga1	H4	Ga2	96.684
Ga2	Ga1	H3	41.658	Ga2	Ga1	H4	41.658
Ga2	Ga1	H5	114.947	Ga2	Ga1	H6	114.947
H3	Ga1	H4	83.316	H3	Ga1	H5	108.368
H3	Ga1	H6	108.368	H3	Ga2	H4	83.316
H3	Ga2	H7	108.368	H3	Ga2	H8	108.368
H4	Ga1	H5	108.368	H4	Ga1	H6	108.368
H4	Ga2	H7	108.368	H4	Ga2	H8	108.368
H5	Ga1	H6	130.106	H7	Ga2	H8	130.106

All results from a given calculation for Ga₂H₆ (digallane)

using model chemistry: M06-2X/6-311G**

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	0.327
2	Ga	0.327
3	H	-0.115
4	H	-0.115
5	H	-0.106
6	H	-0.106
7	H	-0.106
8	H	-0.106

<r²>	159.779
(<r²>)^1/2	12.640

All results from a given calculation for Ga2H6 (digallane)

using model chemistry: M06-2X/6-311G**

States and conformations

All results from a given calculation for Ga₂H₆ (digallane)