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	hartrees
Energy at 0K	-3849.479890
Energy at 298.15K	-3849.487304
HF Energy	-3849.479890
Nuclear repulsion energy	297.047883

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2015	2004	0.00
2	A_g	1557	1549	0.00
3	A_g	708	704	0.00
4	A_g	224	222	0.00
5	A_u	460	457	0.00
6	B_1g	2028	2017	0.00
7	B_1g	494	491	0.00
8	B_1u	1348	1341	167.70
9	B_1u	634	631	98.21
10	B_2g	1384	1377	0.00
11	B_2g	430	428	0.00
12	B_2u	2035	2025	331.31
13	B_2u	774	770	103.94
14	B_2u	249	248	4.36
15	B_3g	777	773	0.00
16	B_3u	2012	2001	130.57
17	B_3u	1397	1390	908.91
18	B_3u	649	646	418.07

Atom	x (Å)	y (Å)	z (Å)
Ga1	1.294	0.000	0.000
Ga2	-1.294	0.000	0.000
H3	0.000	0.000	1.175
H4	0.000	0.000	-1.175
H5	1.951	1.422	0.000
H6	1.951	-1.422	0.000
H7	-1.951	1.422	0.000
H8	-1.951	-1.422	0.000

	Ga1	Ga2	H3	H4	H5	H6	H7	H8
Ga1		2.5889	1.7483	1.7483	1.5659	1.5659	3.5432	3.5432
Ga2	2.5889		1.7483	1.7483	3.5432	3.5432	1.5659	1.5659
H3	1.7483	1.7483		2.3502	2.6848	2.6848	2.6848	2.6848
H4	1.7483	1.7483	2.3502		2.6848	2.6848	2.6848	2.6848
H5	1.5659	3.5432	2.6848	2.6848		2.8433	3.9019	4.8280
H6	1.5659	3.5432	2.6848	2.6848	2.8433		4.8280	3.9019
H7	3.5432	1.5659	2.6848	2.6848	3.9019	4.8280		2.8433
H8	3.5432	1.5659	2.6848	2.6848	4.8280	3.9019	2.8433

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Ga1	Ga2	H3	42.232	Ga1	Ga2	H4	42.232
Ga1	Ga2	H7	114.787	Ga1	Ga2	H8	114.787
Ga1	H3	Ga2	95.536	Ga1	H4	Ga2	95.536
Ga2	Ga1	H3	42.232	Ga2	Ga1	H4	42.232
Ga2	Ga1	H5	114.787	Ga2	Ga1	H6	114.787
H3	Ga1	H4	84.464	H3	Ga1	H5	108.084
H3	Ga1	H6	108.084	H3	Ga2	H4	84.464
H3	Ga2	H7	108.084	H3	Ga2	H8	108.084
H4	Ga1	H5	108.084	H4	Ga1	H6	108.084
H4	Ga2	H7	108.084	H4	Ga2	H8	108.084
H5	Ga1	H6	130.427	H7	Ga2	H8	130.427

All results from a given calculation for Ga₂H₆ (digallane)

using model chemistry: BLYP/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	0.038
2	Ga	0.038
3	H	-0.010
4	H	-0.010
5	H	-0.014
6	H	-0.014
7	H	-0.014
8	H	-0.014

<r²>	154.513
(<r²>)^1/2	12.430

All results from a given calculation for Ga2H6 (digallane)

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

States and conformations

All results from a given calculation for Ga₂H₆ (digallane)