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	hartrees
Energy at 0K	-3852.377672
Energy at 298.15K	-3852.385085
HF Energy	-3852.297893
Nuclear repulsion energy	295.077150

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2020	1936	0.00
2	A_g	1529	1466	0.00
3	A_g	744	713	0.00
4	A_g	234	225	0.00
5	A_u	462	443	0.00
6	B_1g	2026	1942	0.00
7	B_1g	485	465	0.00
8	B_1u	1259	1206	253.07
9	B_1u	655	628	129.74
10	B_2g	1320	1265	0.00
11	B_2g	399	383	0.00
12	B_2u	2032	1947	337.02
13	B_2u	794	761	138.58
14	B_2u	224	215	5.88
15	B_3g	774	742	0.00
16	B_3u	2015	1931	119.04
17	B_3u	1357	1301	1069.82
18	B_3u	686	657	544.71

Atom	x (Å)	y (Å)	z (Å)
Ga1	1.307	0.000	0.000
Ga2	-1.307	0.000	0.000
H3	0.000	0.000	1.177
H4	0.000	0.000	-1.177
H5	1.964	1.410	0.000
H6	1.964	-1.410	0.000
H7	-1.964	1.410	0.000
H8	-1.964	-1.410	0.000

	Ga1	Ga2	H3	H4	H5	H6	H7	H8
Ga1		2.6147	1.7590	1.7590	1.5550	1.5550	3.5618	3.5618
Ga2	2.6147		1.7590	1.7590	3.5618	3.5618	1.5550	1.5550
H3	1.7590	1.7590		2.3537	2.6885	2.6885	2.6885	2.6885
H4	1.7590	1.7590	2.3537		2.6885	2.6885	2.6885	2.6885
H5	1.5550	3.5618	2.6885	2.6885		2.8196	3.9270	4.8344
H6	1.5550	3.5618	2.6885	2.6885	2.8196		4.8344	3.9270
H7	3.5618	1.5550	2.6885	2.6885	3.9270	4.8344		2.8196
H8	3.5618	1.5550	2.6885	2.6885	4.8344	3.9270	2.8196

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Ga1	Ga2	H3	41.993	Ga1	Ga2	H4	41.993
Ga1	Ga2	H7	114.958	Ga1	Ga2	H8	114.958
Ga1	H3	Ga2	96.014	Ga1	H4	Ga2	96.014
Ga2	Ga1	H3	41.993	Ga2	Ga1	H4	41.993
Ga2	Ga1	H5	114.958	Ga2	Ga1	H6	114.958
H3	Ga1	H4	83.986	H3	Ga1	H5	108.277
H3	Ga1	H6	108.277	H3	Ga2	H4	83.986
H3	Ga2	H7	108.277	H3	Ga2	H8	108.277
H4	Ga1	H5	108.277	H4	Ga1	H6	108.277
H4	Ga2	H7	108.277	H4	Ga2	H8	108.277
H5	Ga1	H6	130.084	H7	Ga2	H8	130.084

All results from a given calculation for Ga₂H₆ (digallane)

using model chemistry: B2PLYP=FULL/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: B2PLYP=FULL/cc-pVDZ

States and conformations

All results from a given calculation for Ga₂H₆ (digallane)