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	hartrees
Energy at 0K	-3850.159110
Energy at 298.15K	-3850.166484
HF Energy	-3849.883575
Nuclear repulsion energy	294.866053

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2000	1927	0.00
2	A_g	1526	1471	0.00
3	A_g	735	708	0.00
4	A_g	237	228	0.00
5	A_u	448	432	0.00
6	B_1g	1997	1924	0.00
7	B_1g	468	451	0.00
8	B_1u	1241	1196	264.28
9	B_1u	658	634	149.79
10	B_2g	1316	1268	0.00
11	B_2g	408	393	0.00
12	B_2u	2002	1929	360.85
13	B_2u	784	755	156.75
14	B_2u	214	207	7.76
15	B_3g	748	720	0.00
16	B_3u	1994	1921	124.28
17	B_3u	1367	1317	1130.77
18	B_3u	675	650	584.07

Atom	x (Å)	y (Å)	z (Å)
Ga1	1.309	0.000	0.000
Ga2	-1.309	0.000	0.000
H3	0.000	0.000	1.172
H4	0.000	0.000	-1.172
H5	1.960	1.414	0.000
H6	1.960	-1.414	0.000
H7	-1.960	1.414	0.000
H8	-1.960	-1.414	0.000

	Ga1	Ga2	H3	H4	H5	H6	H7	H8
Ga1		2.6177	1.7570	1.7570	1.5566	1.5566	3.5612	3.5612
Ga2	2.6177		1.7570	1.7570	3.5612	3.5612	1.5566	1.5566
H3	1.7570	1.7570		2.3443	2.6858	2.6858	2.6858	2.6858
H4	1.7570	1.7570	2.3443		2.6858	2.6858	2.6858	2.6858
H5	1.5566	3.5612	2.6858	2.6858		2.8280	3.9192	4.8330
H6	1.5566	3.5612	2.6858	2.6858	2.8280		4.8330	3.9192
H7	3.5612	1.5566	2.6858	2.6858	3.9192	4.8330		2.8280
H8	3.5612	1.5566	2.6858	2.6858	4.8330	3.9192	2.8280

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Ga1	Ga2	H3	41.847	Ga1	Ga2	H4	41.847
Ga1	Ga2	H7	114.712	Ga1	Ga2	H8	114.712
Ga1	H3	Ga2	96.306	Ga1	H4	Ga2	96.306
Ga2	Ga1	H3	41.847	Ga2	Ga1	H4	41.847
Ga2	Ga1	H5	114.712	Ga2	Ga1	H6	114.712
H3	Ga1	H4	83.694	H3	Ga1	H5	108.145
H3	Ga1	H6	108.145	H3	Ga2	H4	83.694
H3	Ga2	H7	108.145	H3	Ga2	H8	108.145
H4	Ga1	H5	108.145	H4	Ga1	H6	108.145
H4	Ga2	H7	108.145	H4	Ga2	H8	108.145
H5	Ga1	H6	130.575	H7	Ga2	H8	130.575

All results from a given calculation for Ga₂H₆ (digallane)

using model chemistry: CCSD/aug-cc-pVDZ

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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All results from a given calculation for Ga2H6 (digallane)

using model chemistry: CCSD/aug-cc-pVDZ

States and conformations

All results from a given calculation for Ga₂H₆ (digallane)