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	hartrees
Energy at 0K	-3850.872232
Energy at 298.15K	-3850.879750
HF Energy	-3849.864957
Nuclear repulsion energy	298.833611

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2100	1992	0.00
2	A_g	1588	1506	0.00
3	A_g	774	734	0.00
4	A_g	243	231	0.00
5	A_u	474	450	0.00
6	B_1g	2106	1998	0.00
7	B_1g	487	462	0.00
8	B_1u	1287	1221	264.09
9	B_1u	675	640	152.55
10	B_2g	1352	1282	0.00
11	B_2g	416	395	0.00
12	B_2u	2111	2003	358.48
13	B_2u	809	767	153.42
14	B_2u	230	218	7.30
15	B_3g	793	752	0.00
16	B_3u	2094	1986	131.61
17	B_3u	1384	1313	1126.65
18	B_3u	714	677	589.96

Atom	x (Å)	y (Å)	z (Å)
Ga1	1.291	0.000	0.000
Ga2	-1.291	0.000	0.000
H3	0.000	0.000	1.163
H4	0.000	0.000	-1.163
H5	1.935	1.394	0.000
H6	1.935	-1.394	0.000
H7	-1.935	1.394	0.000
H8	-1.935	-1.394	0.000

	Ga1	Ga2	H3	H4	H5	H6	H7	H8
Ga1		2.5820	1.7373	1.7373	1.5355	1.5355	3.5145	3.5145
Ga2	2.5820		1.7373	1.7373	3.5145	3.5145	1.5355	1.5355
H3	1.7373	1.7373		2.3251	2.6532	2.6532	2.6532	2.6532
H4	1.7373	1.7373	2.3251		2.6532	2.6532	2.6532	2.6532
H5	1.5355	3.5145	2.6532	2.6532		2.7874	3.8707	4.7699
H6	1.5355	3.5145	2.6532	2.6532	2.7874		4.7699	3.8707
H7	3.5145	1.5355	2.6532	2.6532	3.8707	4.7699		2.7874
H8	3.5145	1.5355	2.6532	2.6532	4.7699	3.8707	2.7874

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Ga1	Ga2	H3	42.003	Ga1	Ga2	H4	42.003
Ga1	Ga2	H7	114.814	Ga1	Ga2	H8	114.814
Ga1	H3	Ga2	95.993	Ga1	H4	Ga2	95.993
Ga2	Ga1	H3	42.003	Ga2	Ga1	H4	42.003
Ga2	Ga1	H5	114.814	Ga2	Ga1	H6	114.814
H3	Ga1	H4	84.007	H3	Ga1	H5	108.171
H3	Ga1	H6	108.171	H3	Ga2	H4	84.007
H3	Ga2	H7	108.171	H3	Ga2	H8	108.171
H4	Ga1	H5	108.171	H4	Ga1	H6	108.171
H4	Ga2	H7	108.171	H4	Ga2	H8	108.171
H5	Ga1	H6	130.372	H7	Ga2	H8	130.372

All results from a given calculation for Ga₂H₆ (digallane)

using model chemistry: MP2=FULL/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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All results from a given calculation for Ga2H6 (digallane)

using model chemistry: MP2=FULL/6-311G**

States and conformations

All results from a given calculation for Ga₂H₆ (digallane)