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	hartrees
Energy at 0K	-3848.428845
Energy at 298.15K	-3848.436243
HF Energy	-3848.367266
Nuclear repulsion energy	298.511075

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2056	1950	0.00
2	A_g	1487	1411	0.00
3	A_g	734	696	0.00
4	A_g	228	216	0.00
5	A_u	480	455	0.00
6	B_1g	2062	1956	0.00
7	B_1g	503	477	0.00
8	B_1u	1251	1186	209.04
9	B_1u	666	632	130.89
10	B_2g	1278	1212	0.00
11	B_2g	408	387	0.00
12	B_2u	2068	1961	322.48
13	B_2u	792	751	131.30
14	B_2u	225	214	4.53
15	B_3g	798	757	0.00
16	B_3u	2050	1944	132.07
17	B_3u	1289	1223	998.14
18	B_3u	670	636	540.15

Atom	x (Å)	y (Å)	z (Å)
Ga1	1.287	0.000	0.000
Ga2	-1.287	0.000	0.000
H3	0.000	0.000	1.192
H4	0.000	0.000	-1.192
H5	1.939	1.409	0.000
H6	1.939	-1.409	0.000
H7	-1.939	1.409	0.000
H8	-1.939	-1.409	0.000

	Ga1	Ga2	H3	H4	H5	H6	H7	H8
Ga1		2.5745	1.7543	1.7543	1.5524	1.5524	3.5209	3.5209
Ga2	2.5745		1.7543	1.7543	3.5209	3.5209	1.5524	1.5524
H3	1.7543	1.7543		2.3838	2.6771	2.6771	2.6771	2.6771
H4	1.7543	1.7543	2.3838		2.6771	2.6771	2.6771	2.6771
H5	1.5524	3.5209	2.6771	2.6771		2.8175	3.8790	4.7942
H6	1.5524	3.5209	2.6771	2.6771	2.8175		4.7942	3.8790
H7	3.5209	1.5524	2.6771	2.6771	3.8790	4.7942		2.8175
H8	3.5209	1.5524	2.6771	2.6771	4.7942	3.8790	2.8175

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Ga1	Ga2	H3	42.797	Ga1	Ga2	H4	42.797
Ga1	Ga2	H7	114.844	Ga1	Ga2	H8	114.844
Ga1	H3	Ga2	94.406	Ga1	H4	Ga2	94.406
Ga2	Ga1	H3	42.797	Ga2	Ga1	H4	42.797
Ga2	Ga1	H5	114.844	Ga2	Ga1	H6	114.844
H3	Ga1	H4	85.594	H3	Ga1	H5	107.956
H3	Ga1	H6	107.956	H3	Ga2	H4	85.594
H3	Ga2	H7	107.956	H3	Ga2	H8	107.956
H4	Ga1	H5	107.956	H4	Ga1	H6	107.956
H4	Ga2	H7	107.956	H4	Ga2	H8	107.956
H5	Ga1	H6	130.313	H7	Ga2	H8	130.313

All results from a given calculation for Ga₂H₆ (digallane)

using model chemistry: B2PLYP=FULL/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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All results from a given calculation for Ga2H6 (digallane)

using model chemistry: B2PLYP=FULL/6-31G*

States and conformations

All results from a given calculation for Ga₂H₆ (digallane)