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	hartrees
Energy at 0K	-3849.273500
Energy at 298.15K	-3849.280848
HF Energy	-3849.273500
Nuclear repulsion energy	302.839002

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2083	1995	0.00
2	A_g	1583	1516	0.00
3	A_g	706	676	0.00
4	A_g	233	223	0.00
5	A_u	462	443	0.00
6	B_1g	2085	1997	0.00
7	B_1g	472	452	0.00
8	B_1u	1349	1292	196.03
9	B_1u	650	623	124.78
10	B_2g	1401	1342	0.00
11	B_2g	439	421	0.00
12	B_2u	2091	2003	343.55
13	B_2u	755	723	118.49
14	B_2u	197	188	5.98
15	B_3g	758	726	0.00
16	B_3u	2078	1990	126.57
17	B_3u	1410	1350	913.81
18	B_3u	650	623	461.44

Atom	x (Å)	y (Å)	z (Å)
Ga1	1.265	0.000	0.000
Ga2	-1.265	0.000	0.000
H3	0.000	0.000	1.178
H4	0.000	0.000	-1.178
H5	1.919	1.406	0.000
H6	1.919	-1.406	0.000
H7	-1.919	1.406	0.000
H8	-1.919	-1.406	0.000

	Ga1	Ga2	H3	H4	H5	H6	H7	H8
Ga1		2.5298	1.7285	1.7285	1.5508	1.5508	3.4804	3.4804
Ga2	2.5298		1.7285	1.7285	3.4804	3.4804	1.5508	1.5508
H3	1.7285	1.7285		2.3560	2.6546	2.6546	2.6546	2.6546
H4	1.7285	1.7285	2.3560		2.6546	2.6546	2.6546	2.6546
H5	1.5508	3.4804	2.6546	2.6546		2.8126	3.8375	4.7578
H6	1.5508	3.4804	2.6546	2.6546	2.8126		4.7578	3.8375
H7	3.4804	1.5508	2.6546	2.6546	3.8375	4.7578		2.8126
H8	3.4804	1.5508	2.6546	2.6546	4.7578	3.8375	2.8126

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Ga1	Ga2	H3	42.963	Ga1	Ga2	H4	42.963
Ga1	Ga2	H7	114.935	Ga1	Ga2	H8	114.935
Ga1	H3	Ga2	94.074	Ga1	H4	Ga2	94.074
Ga2	Ga1	H3	42.963	Ga2	Ga1	H4	42.963
Ga2	Ga1	H5	114.935	Ga2	Ga1	H6	114.935
H3	Ga1	H4	85.926	H3	Ga1	H5	107.970
H3	Ga1	H6	107.970	H3	Ga2	H4	85.926
H3	Ga2	H7	107.970	H3	Ga2	H8	107.970
H4	Ga1	H5	107.970	H4	Ga1	H6	107.970
H4	Ga2	H7	107.970	H4	Ga2	H8	107.970
H5	Ga1	H6	130.130	H7	Ga2	H8	130.130

All results from a given calculation for Ga₂H₆ (digallane)

using model chemistry: HSEh1PBE/6-31G(2df,p)

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	-0.034
2	Ga	-0.034
3	H	-0.002
4	H	-0.002
5	H	0.018
6	H	0.018
7	H	0.018
8	H	0.018

<r²>	148.774
(<r²>)^1/2	12.197

All results from a given calculation for Ga2H6 (digallane)

using model chemistry: HSEh1PBE/6-31G(2df,p)

States and conformations

All results from a given calculation for Ga₂H₆ (digallane)