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	hartrees
Energy at 0K	-3807.701504
Energy at 298.15K
HF Energy	-3807.701504
Nuclear repulsion energy	365.264170

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2219	1957	0.00
2	A_g	1532	1351	0.00
3	A_g	900	794	0.00
4	A_g	441	389	0.00
5	A_u	668	589	0.00
6	B_1g	1990	1755	0.00
7	B_1g	513	452	0.00
8	B_1u	1336	1179	15.27
9	B_1u	794	700	40.79
10	B_2g	947	835	0.00
11	B_2g	291i	257i	0.00
12	B_2u	1956	1725	73.59
13	B_2u	549	484	0.09
14	B_2u	164i	145i	10.40
15	B_3g	739	652	0.00
16	B_3u	2156	1902	159.32
17	B_3u	925	816	0.77
18	B_3u	798i	704i	116.48

Atom	x (Å)	y (Å)	z (Å)
Ga1	1.016	0.000	0.000
Ga2	-1.016	0.000	0.000
H3	0.000	0.000	1.247
H4	0.000	0.000	-1.247
H5	1.704	1.147	0.000
H6	1.704	-1.147	0.000
H7	-1.704	1.147	0.000
H8	-1.704	-1.147	0.000

	Ga1	Ga2	H3	H4	H5	H6	H7	H8
Ga1		2.0328	1.6085	1.6085	1.3372	1.3372	2.9520	2.9520
Ga2	2.0328		1.6085	1.6085	2.9520	2.9520	1.3372	1.3372
H3	1.6085	1.6085		2.4935	2.4026	2.4026	2.4026	2.4026
H4	1.6085	1.6085	2.4935		2.4026	2.4026	2.4026	2.4026
H5	1.3372	2.9520	2.4026	2.4026		2.2941	3.4074	4.1077
H6	1.3372	2.9520	2.4026	2.4026	2.2941		4.1077	3.4074
H7	2.9520	1.3372	2.4026	2.4026	3.4074	4.1077		2.2941
H8	2.9520	1.3372	2.4026	2.4026	4.1077	3.4074	2.2941

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Ga1	Ga2	H3	50.812	Ga1	Ga2	H4	50.812
Ga1	Ga2	H7	120.929	Ga1	Ga2	H8	120.929
Ga1	H3	Ga2	78.377	Ga1	H4	Ga2	78.377
Ga2	Ga1	H3	50.812	Ga2	Ga1	H4	50.812
Ga2	Ga1	H5	120.929	Ga2	Ga1	H6	120.929
H3	Ga1	H4	101.623	H3	Ga1	H5	108.952
H3	Ga1	H6	108.952	H3	Ga2	H4	101.623
H3	Ga2	H7	108.952	H3	Ga2	H8	108.952
H4	Ga1	H5	108.952	H4	Ga1	H6	108.952
H4	Ga2	H7	108.952	H4	Ga2	H8	108.952
H5	Ga1	H6	118.142	H7	Ga2	H8	118.142

All results from a given calculation for Ga₂H₆ (digallane)

using model chemistry: PBE1PBE/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	0.088
2	Ga	0.088
3	H	-0.004
4	H	-0.004
5	H	-0.042
6	H	-0.042
7	H	-0.042
8	H	-0.042

<r²>	108.494
(<r²>)^1/2	10.416

All results from a given calculation for Ga2H6 (digallane)

using model chemistry: PBE1PBE/STO-3G

States and conformations

All results from a given calculation for Ga₂H₆ (digallane)