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	hartrees
Energy at 0K	-3849.297170
Energy at 298.15K	-3849.304683
HF Energy	-3849.297170
Nuclear repulsion energy	301.834275

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2083	2005	0.00
2	A_g	1638	1577	0.00
3	A_g	723	696	0.00
4	A_g	236	227	0.00
5	A_u	476	458	0.00
6	B_1g	2091	2013	0.00
7	B_1g	498	479	0.00
8	B_1u	1438	1384	190.49
9	B_1u	657	632	133.51
10	B_2g	1483	1428	0.00
11	B_2g	458	441	0.00
12	B_2u	2098	2019	349.92
13	B_2u	790	761	116.80
14	B_2u	239	230	4.99
15	B_3g	800	770	0.00
16	B_3u	2078	2000	146.90
17	B_3u	1483	1427	932.66
18	B_3u	663	638	457.76

Atom	x (Å)	y (Å)	z (Å)
Ga1	1.270	0.000	0.000
Ga2	-1.270	0.000	0.000
H3	0.000	0.000	1.173
H4	0.000	0.000	-1.173
H5	1.921	1.412	0.000
H6	1.921	-1.412	0.000
H7	-1.921	1.412	0.000
H8	-1.921	-1.412	0.000

	Ga1	Ga2	H3	H4	H5	H6	H7	H8
Ga1		2.5405	1.7293	1.7293	1.5543	1.5543	3.4893	3.4893
Ga2	2.5405		1.7293	1.7293	3.4893	3.4893	1.5543	1.5543
H3	1.7293	1.7293		2.3468	2.6569	2.6569	2.6569	2.6569
H4	1.7293	1.7293	2.3468		2.6569	2.6569	2.6569	2.6569
H5	1.5543	3.4893	2.6569	2.6569		2.8231	3.8416	4.7674
H6	1.5543	3.4893	2.6569	2.6569	2.8231		4.7674	3.8416
H7	3.4893	1.5543	2.6569	2.6569	3.8416	4.7674		2.8231
H8	3.4893	1.5543	2.6569	2.6569	4.7674	3.8416	2.8231

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Ga1	Ga2	H3	42.731	Ga1	Ga2	H4	42.731
Ga1	Ga2	H7	114.744	Ga1	Ga2	H8	114.744
Ga1	H3	Ga2	94.538	Ga1	H4	Ga2	94.538
Ga2	Ga1	H3	42.731	Ga2	Ga1	H4	42.731
Ga2	Ga1	H5	114.744	Ga2	Ga1	H6	114.744
H3	Ga1	H4	85.462	H3	Ga1	H5	107.906
H3	Ga1	H6	107.906	H3	Ga2	H4	85.462
H3	Ga2	H7	107.906	H3	Ga2	H8	107.906
H4	Ga1	H5	107.906	H4	Ga1	H6	107.906
H4	Ga2	H7	107.906	H4	Ga2	H8	107.906
H5	Ga1	H6	130.513	H7	Ga2	H8	130.513

All results from a given calculation for Ga₂H₆ (digallane)

using model chemistry: TPSSh/6-31+G**

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	0.122
2	Ga	0.122
3	H	-0.042
4	H	-0.042
5	H	-0.040
6	H	-0.040
7	H	-0.040
8	H	-0.040

<r²>	149.869
(<r²>)^1/2	12.242

All results from a given calculation for Ga2H6 (digallane)

using model chemistry: TPSSh/6-31+G**

States and conformations

All results from a given calculation for Ga₂H₆ (digallane)