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	hartrees
Energy at 0K	-3807.999988
Energy at 298.15K
HF Energy	-3807.999988
Nuclear repulsion energy	362.591216

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2527	2527	0.00
2	A_g	1475	1475	0.00
3	A_g	1034	1034	0.00
4	A_g	369	369	0.00
5	A_u	781	781	0.00
6	B_1g	2232	2232	0.00
7	B_1g	648	648	0.00
8	B_1u	1102	1102	8.71
9	B_1u	903	903	60.96
10	B_2g	1226	1226	0.00
11	B_2g	565	565	0.00
12	B_2u	2204	2204	73.23
13	B_2u	726	726	6.53
14	B_2u	55i	55i	6.56
15	B_3g	905	905	0.00
16	B_3u	2470	2470	120.26
17	B_3u	1091	1091	13.05
18	B_3u	344	344	242.89

Atom	x (Å)	y (Å)	z (Å)
Ga1	1.036	0.000	0.000
Ga2	-1.036	0.000	0.000
H3	0.000	0.000	1.158
H4	0.000	0.000	-1.158
H5	1.707	1.133	0.000
H6	1.707	-1.133	0.000
H7	-1.707	1.133	0.000
H8	-1.707	-1.133	0.000

	Ga1	Ga2	H3	H4	H5	H6	H7	H8
Ga1		2.0726	1.5536	1.5536	1.3169	1.3169	2.9682	2.9682
Ga2	2.0726		1.5536	1.5536	2.9682	2.9682	1.3169	1.3169
H3	1.5536	1.5536		2.3150	2.3533	2.3533	2.3533	2.3533
H4	1.5536	1.5536	2.3150		2.3533	2.3533	2.3533	2.3533
H5	1.3169	2.9682	2.3533	2.3533		2.2667	3.4139	4.0979
H6	1.3169	2.9682	2.3533	2.3533	2.2667		4.0979	3.4139
H7	2.9682	1.3169	2.3533	2.3533	3.4139	4.0979		2.2667
H8	2.9682	1.3169	2.3533	2.3533	4.0979	3.4139	2.2667

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Ga1	Ga2	H3	48.162	Ga1	Ga2	H4	48.162
Ga1	Ga2	H7	120.614	Ga1	Ga2	H8	120.614
Ga1	H3	Ga2	83.675	Ga1	H4	Ga2	83.675
Ga2	Ga1	H3	48.162	Ga2	Ga1	H4	48.162
Ga2	Ga1	H5	120.614	Ga2	Ga1	H6	120.614
H3	Ga1	H4	96.325	H3	Ga1	H5	109.857
H3	Ga1	H6	109.857	H3	Ga2	H4	96.325
H3	Ga2	H7	109.857	H3	Ga2	H8	109.857
H4	Ga1	H5	109.857	H4	Ga1	H6	109.857
H4	Ga2	H7	109.857	H4	Ga2	H8	109.857
H5	Ga1	H6	118.773	H7	Ga2	H8	118.773

All results from a given calculation for Ga₂H₆ (digallane)

using model chemistry: M06-2X/STO-3G

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	0.176
2	Ga	0.176
3	H	-0.051
4	H	-0.051
5	H	-0.063
6	H	-0.063
7	H	-0.063
8	H	-0.063

<r²>	110.384
(<r²>)^1/2	10.506

All results from a given calculation for Ga2H6 (digallane)

using model chemistry: M06-2X/STO-3G

States and conformations

All results from a given calculation for Ga₂H₆ (digallane)