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	hartrees
Energy at 0K	-3849.120948
Energy at 298.15K	-3849.128221
HF Energy	-3849.120948
Nuclear repulsion energy	300.874686

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2056	1978	0.00
2	A_g	1538	1480	0.00
3	A_g	732	704	0.00
4	A_g	232	223	0.00
5	A_u	449	432	0.00
6	B_1g	2058	1980	0.00
7	B_1g	457	439	0.00
8	B_1u	1313	1263	306.70
9	B_1u	631	607	144.50
10	B_2g	1365	1313	0.00
11	B_2g	403	388	0.00
12	B_2u	2066	1988	454.50
13	B_2u	775	745	189.40
14	B_2u	190	182	4.87
15	B_3g	732	704	0.00
16	B_3u	2047	1970	155.05
17	B_3u	1380	1327	1023.28
18	B_3u	679	653	527.18

Atom	x (Å)	y (Å)	z (Å)
Ga1	1.275	0.000	0.000
Ga2	-1.275	0.000	0.000
H3	0.000	0.000	1.180
H4	0.000	0.000	-1.180
H5	1.929	1.409	0.000
H6	1.929	-1.409	0.000
H7	-1.929	1.409	0.000
H8	-1.929	-1.409	0.000

	Ga1	Ga2	H3	H4	H5	H6	H7	H8
Ga1		2.5499	1.7369	1.7369	1.5537	1.5537	3.5006	3.5006
Ga2	2.5499		1.7369	1.7369	3.5006	3.5006	1.5537	1.5537
H3	1.7369	1.7369		2.3590	2.6645	2.6645	2.6645	2.6645
H4	1.7369	1.7369	2.3590		2.6645	2.6645	2.6645	2.6645
H5	1.5537	3.5006	2.6645	2.6645		2.8183	3.8590	4.7785
H6	1.5537	3.5006	2.6645	2.6645	2.8183		4.7785	3.8590
H7	3.5006	1.5537	2.6645	2.6645	3.8590	4.7785		2.8183
H8	3.5006	1.5537	2.6645	2.6645	4.7785	3.8590	2.8183

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Ga1	Ga2	H3	42.773	Ga1	Ga2	H4	42.773
Ga1	Ga2	H7	114.914	Ga1	Ga2	H8	114.914
Ga1	H3	Ga2	94.454	Ga1	H4	Ga2	94.454
Ga2	Ga1	H3	42.773	Ga2	Ga1	H4	42.773
Ga2	Ga1	H5	114.914	Ga2	Ga1	H6	114.914
H3	Ga1	H4	85.546	H3	Ga1	H5	108.012
H3	Ga1	H6	108.012	H3	Ga2	H4	85.546
H3	Ga2	H7	108.012	H3	Ga2	H8	108.012
H4	Ga1	H5	108.012	H4	Ga1	H6	108.012
H4	Ga2	H7	108.012	H4	Ga2	H8	108.012
H5	Ga1	H6	130.172	H7	Ga2	H8	130.172

All results from a given calculation for Ga₂H₆ (digallane)

using model chemistry: TPSSh/6-31G

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	0.490
2	Ga	0.490
3	H	-0.241
4	H	-0.241
5	H	-0.125
6	H	-0.125
7	H	-0.125
8	H	-0.125

<r²>	150.904
(<r²>)^1/2	12.284

All results from a given calculation for Ga2H6 (digallane)

using model chemistry: TPSSh/6-31G

States and conformations

All results from a given calculation for Ga₂H₆ (digallane)