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	hartrees
Energy at 0K	-3852.205946
Energy at 298.15K	-3852.199423
HF Energy	-3849.371644
Nuclear repulsion energy	290.572722

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2098	1977	0.00
2	A_g	1517	1429	0.00
3	A_g	775	730	0.00
4	A_g	228	215	0.00
5	A_u	491	462	0.00
6	B_1g	2090	1970	0.00
7	B_1g	513	483	0.00
8	B_1u	1228	1157	352.38
9	B_1u	698	657	196.59
10	B_2g	1283	1209	0.00
11	B_2g	379	358	0.00
12	B_2u	2096	1975	435.24
13	B_2u	872	822	208.96
14	B_2u	237	224	6.73
15	B_3g	847	798	0.00
16	B_3u	2089	1968	159.12
17	B_3u	1336	1259	1287.05
18	B_3u	708	667	772.48

Atom	x (Å)	y (Å)	z (Å)
Ga1	1.288	0.000	0.000
Ga2	-1.288	0.000	0.000
H3	0.000	0.000	1.204
H4	0.000	0.000	-1.204
H5	1.945	1.417	0.000
H6	1.945	-1.417	0.000
H7	-1.945	1.417	0.000
H8	-1.945	-1.417	0.000

	Ga1	Ga2	H3	H4	H5	H6	H7	H8
Ga1		2.5766	1.7635	1.7635	1.5613	1.5613	3.5298	3.5298
Ga2	2.5766		1.7635	1.7635	3.5298	3.5298	1.5613	1.5613
H3	1.7635	1.7635		2.4084	2.6905	2.6905	2.6905	2.6905
H4	1.7635	1.7635	2.4084		2.6905	2.6905	2.6905	2.6905
H5	1.5613	3.5298	2.6905	2.6905		2.8333	3.8895	4.8120
H6	1.5613	3.5298	2.6905	2.6905	2.8333		4.8120	3.8895
H7	3.5298	1.5613	2.6905	2.6905	3.8895	4.8120		2.8333
H8	3.5298	1.5613	2.6905	2.6905	4.8120	3.8895	2.8333

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Ga1	Ga2	H3	41.903	Ga1	Ga2	H4	41.903
Ga1	Ga2	H7	115.239	Ga1	Ga2	H8	115.239
Ga1	H3	Ga2	96.194	Ga1	H4	Ga2	96.194
Ga2	Ga1	H3	41.903	Ga2	Ga1	H4	41.903
Ga2	Ga1	H5	115.239	Ga2	Ga1	H6	115.239
H3	Ga1	H4	83.806	H3	Ga1	H5	108.503
H3	Ga1	H6	108.503	H3	Ga2	H4	83.806
H3	Ga2	H7	108.503	H3	Ga2	H8	108.503
H4	Ga1	H5	108.503	H4	Ga1	H6	108.503
H4	Ga2	H7	108.503	H4	Ga2	H8	108.503
H5	Ga1	H6	129.521	H7	Ga2	H8	129.521

All results from a given calculation for Ga₂H₆ (digallane)

using model chemistry: G3

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: G3

States and conformations

All results from a given calculation for Ga₂H₆ (digallane)