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	hartrees
Energy at 0K	-3849.866529
Energy at 298.15K	-3849.874071
HF Energy	-3849.866529
Nuclear repulsion energy	292.237657

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2087	1896	0.00
2	A_g	1571	1427	0.00
3	A_g	792	720	0.00
4	A_g	238	216	0.00
5	A_u	474	431	0.00
6	B_1g	2075	1885	0.00
7	B_1g	498	453	0.00
8	B_1u	1251	1137	398.04
9	B_1u	693	629	201.44
10	B_2g	1323	1202	0.00
11	B_2g	377	343	0.00
12	B_2u	2081	1890	487.60
13	B_2u	873	793	219.23
14	B_2u	241	219	9.32
15	B_3g	823	748	0.00
16	B_3u	2079	1889	143.86
17	B_3u	1401	1273	1354.30
18	B_3u	729	662	781.26

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	1.993	1.407	0.000
H6	1.993	-1.407	0.000
H7	-1.993	1.407	0.000
H8	-1.993	-1.407	0.000

	Ga1	Ga2	H3	H4	H5	H6	H7	H8
Ga1		2.6456	1.7709	1.7709	1.5585	1.5585	3.6020	3.6020
Ga2	2.6456		1.7709	1.7709	3.6020	3.6020	1.5585	1.5585
H3	1.7709	1.7709		2.3546	2.7089	2.7089	2.7089	2.7089
H4	1.7709	1.7709	2.3546		2.7089	2.7089	2.7089	2.7089
H5	1.5585	3.6020	2.7089	2.7089		2.8142	3.9859	4.8793
H6	1.5585	3.6020	2.7089	2.7089	2.8142		4.8793	3.9859
H7	3.6020	1.5585	2.7089	2.7089	3.9859	4.8793		2.8142
H8	3.6020	1.5585	2.7089	2.7089	4.8793	3.9859	2.8142

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Ga1	Ga2	H3	41.669	Ga1	Ga2	H4	41.669
Ga1	Ga2	H7	115.467	Ga1	Ga2	H8	115.467
Ga1	H3	Ga2	96.661	Ga1	H4	Ga2	96.661
Ga2	Ga1	H3	41.669	Ga2	Ga1	H4	41.669
Ga2	Ga1	H5	115.467	Ga2	Ga1	H6	115.467
H3	Ga1	H4	83.339	H3	Ga1	H5	108.735
H3	Ga1	H6	108.735	H3	Ga2	H4	83.339
H3	Ga2	H7	108.735	H3	Ga2	H8	108.735
H4	Ga1	H5	108.735	H4	Ga1	H6	108.735
H4	Ga2	H7	108.735	H4	Ga2	H8	108.735
H5	Ga1	H6	129.067	H7	Ga2	H8	129.067

All results from a given calculation for Ga₂H₆ (digallane)

using model chemistry: HF/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	0.500
2	Ga	0.500
3	H	-0.198
4	H	-0.198
5	H	-0.151
6	H	-0.151
7	H	-0.151
8	H	-0.151

<r²>	159.933
(<r²>)^1/2	12.646

All results from a given calculation for Ga2H6 (digallane)

using model chemistry: HF/6-311G**

States and conformations

All results from a given calculation for Ga₂H₆ (digallane)