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	hartrees
Energy at 0K	-3803.098840
Energy at 298.15K
HF Energy	-3803.098840
Nuclear repulsion energy	369.776757

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2241	2007	0.00
2	A_g	1513	1354	0.00
3	A_g	943	845	0.00
4	A_g	528	473	0.00
5	A_u	664	595	0.00
6	B_1g	2050	1835	0.00
7	B_1g	596	534	0.00
8	B_1u	1350	1209	46.90
9	B_1u	783	701	10.57
10	B_2g	852	763	0.00
11	B_2g	682i	611i	0.00
12	B_2u	2023	1811	108.15
13	B_2u	550	493	0.94
14	B_2u	69	62	26.90
15	B_3g	503	450	0.00
16	B_3u	2180	1952	215.97
17	B_3u	970	869	6.88
18	B_3u	888i	795i	51.72

Atom	x (Å)	y (Å)	z (Å)
Ga1	0.997	0.000	0.000
Ga2	-0.997	0.000	0.000
H3	0.000	0.000	1.297
H4	0.000	0.000	-1.297
H5	1.688	1.142	0.000
H6	1.688	-1.142	0.000
H7	-1.688	1.142	0.000
H8	-1.688	-1.142	0.000

	Ga1	Ga2	H3	H4	H5	H6	H7	H8
Ga1		1.9942	1.6356	1.6356	1.3346	1.3346	2.9177	2.9177
Ga2	1.9942		1.6356	1.6356	2.9177	2.9177	1.3346	1.3346
H3	1.6356	1.6356		2.5931	2.4153	2.4153	2.4153	2.4153
H4	1.6356	1.6356	2.5931		2.4153	2.4153	2.4153	2.4153
H5	1.3346	2.9177	2.4153	2.4153		2.2840	3.3755	4.0757
H6	1.3346	2.9177	2.4153	2.4153	2.2840		4.0757	3.3755
H7	2.9177	1.3346	2.4153	2.4153	3.3755	4.0757		2.2840
H8	2.9177	1.3346	2.4153	2.4153	4.0757	3.3755	2.2840

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Ga1	Ga2	H3	52.438	Ga1	Ga2	H4	52.438
Ga1	Ga2	H7	121.164	Ga1	Ga2	H8	121.164
Ga1	H3	Ga2	75.123	Ga1	H4	Ga2	75.123
Ga2	Ga1	H3	52.438	Ga2	Ga1	H4	52.438
Ga2	Ga1	H5	121.164	Ga2	Ga1	H6	121.164
H3	Ga1	H4	104.877	H3	Ga1	H5	108.389
H3	Ga1	H6	108.389	H3	Ga2	H4	104.877
H3	Ga2	H7	108.389	H3	Ga2	H8	108.389
H4	Ga1	H5	108.389	H4	Ga1	H6	108.389
H4	Ga2	H7	108.389	H4	Ga2	H8	108.389
H5	Ga1	H6	117.671	H7	Ga2	H8	117.671

All results from a given calculation for Ga₂H₆ (digallane)

using model chemistry: LSDA/STO-3G

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	-0.061
2	Ga	-0.061
3	H	0.057
4	H	0.057
5	H	0.002
6	H	0.002
7	H	0.002
8	H	0.002

<r²>	106.281
(<r²>)^1/2	10.309

All results from a given calculation for Ga2H6 (digallane)

using model chemistry: LSDA/STO-3G

States and conformations

All results from a given calculation for Ga₂H₆ (digallane)