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	hartrees
Energy at 0K	-7.381537
Energy at 298.15K	-7.388842
HF Energy	-7.381537
Nuclear repulsion energy	13.669663

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2012	1811	0.00
2	A_g	1488	1340	0.00
3	A_g	754	679	0.00
4	A_g	227	205	0.00
5	A_u	454	409	0.00
6	B_1g	2002	1803	0.00
7	B_1g	483	435	0.00
8	B_1u	1167	1050	673.72
9	B_1u	693	624	162.35
10	B_2g	1233	1110	0.00
11	B_2g	290	261	0.00
12	B_2u	2009	1809	625.27
13	B_2u	879	791	317.34
14	B_2u	237	213	0.25
15	B_3g	813	732	0.00
16	B_3u	2002	1803	155.45
17	B_3u	1365	1229	1713.11
18	B_3u	679	612	901.59

Atom	x (Å)	y (Å)	z (Å)
Ga1	1.368	0.000	0.000
Ga2	-1.368	0.000	0.000
H3	0.000	0.000	1.184
H4	0.000	0.000	-1.184
H5	2.005	1.427	0.000
H6	2.005	-1.427	0.000
H7	-2.005	1.427	0.000
H8	-2.005	-1.427	0.000

	Ga1	Ga2	H3	H4	H5	H6	H7	H8
Ga1		2.7369	1.8096	1.8096	1.5627	1.5627	3.6628	3.6628
Ga2	2.7369		1.8096	1.8096	3.6628	3.6628	1.5627	1.5627
H3	1.8096	1.8096		2.3682	2.7310	2.7310	2.7310	2.7310
H4	1.8096	1.8096	2.3682		2.7310	2.7310	2.7310	2.7310
H5	1.5627	3.6628	2.7310	2.7310		2.8546	4.0096	4.9220
H6	1.5627	3.6628	2.7310	2.7310	2.8546		4.9220	4.0096
H7	3.6628	1.5627	2.7310	2.7310	4.0096	4.9220		2.8546
H8	3.6628	1.5627	2.7310	2.7310	4.9220	4.0096	2.8546

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Ga1	Ga2	H3	40.869	Ga1	Ga2	H4	40.869
Ga1	Ga2	H7	114.030	Ga1	Ga2	H8	114.030
Ga1	H3	Ga2	98.262	Ga1	H4	Ga2	98.262
Ga2	Ga1	H3	40.869	Ga2	Ga1	H4	40.869
Ga2	Ga1	H5	114.030	Ga2	Ga1	H6	114.030
H3	Ga1	H4	81.738	H3	Ga1	H5	107.935
H3	Ga1	H6	107.935	H3	Ga2	H4	81.738
H3	Ga2	H7	107.935	H3	Ga2	H8	107.935
H4	Ga1	H5	107.935	H4	Ga1	H6	107.935
H4	Ga2	H7	107.935	H4	Ga2	H8	107.935
H5	Ga1	H6	131.941	H7	Ga2	H8	131.941

All results from a given calculation for Ga₂H₆ (digallane)

using model chemistry: HF/SDD

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	0.530
2	Ga	0.530
3	H	-0.299
4	H	-0.299
5	H	-0.116
6	H	-0.116
7	H	-0.116
8	H	-0.116

<r²>	55.474
(<r²>)^1/2	7.448

All results from a given calculation for Ga2H6 (digallane)

using model chemistry: HF/SDD

States and conformations

All results from a given calculation for Ga₂H₆ (digallane)