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	hartrees
Energy at 0K	-3852.347027
Energy at 298.15K	-3852.354450
HF Energy	-3852.288741
Nuclear repulsion energy	294.637796

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2044	2044	0.00
2	A_g	1543	1543	0.00
3	A_g	746	746	0.00
4	A_g	234	234	0.00
5	A_u	459	459	0.00
6	B_1g	2049	2049	0.00
7	B_1g	481	481	0.00
8	B_1u	1263	1263	261.16
9	B_1u	656	656	145.39
10	B_2g	1322	1322	0.00
11	B_2g	405	405	0.00
12	B_2u	2056	2056	377.57
13	B_2u	798	798	151.67
14	B_2u	227	227	6.74
15	B_3g	774	774	0.00
16	B_3u	2039	2039	130.53
17	B_3u	1366	1366	1094.35
18	B_3u	687	687	583.37

Atom	x (Å)	y (Å)	z (Å)
Ga1	1.311	0.000	0.000
Ga2	-1.311	0.000	0.000
H3	0.000	0.000	1.172
H4	0.000	0.000	-1.172
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		2.6210	1.7582	1.7582	1.5540	1.5540	3.5655	3.5655
Ga2	2.6210		1.7582	1.7582	3.5655	3.5655	1.5540	1.5540
H3	1.7582	1.7582		2.3441	2.6870	2.6870	2.6870	2.6870
H4	1.7582	1.7582	2.3441		2.6870	2.6870	2.6870	2.6870
H5	1.5540	3.5655	2.6870	2.6870		2.8194	3.9290	4.8359
H6	1.5540	3.5655	2.6870	2.6870	2.8194		4.8359	3.9290
H7	3.5655	1.5540	2.6870	2.6870	3.9290	4.8359		2.8194
H8	3.5655	1.5540	2.6870	2.6870	4.8359	3.9290	2.8194

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Ga1	Ga2	H3	41.808	Ga1	Ga2	H4	41.808
Ga1	Ga2	H7	114.887	Ga1	Ga2	H8	114.887
Ga1	H3	Ga2	96.384	Ga1	H4	Ga2	96.384
Ga2	Ga1	H3	41.808	Ga2	Ga1	H4	41.808
Ga2	Ga1	H5	114.887	Ga2	Ga1	H6	114.887
H3	Ga1	H4	83.616	H3	Ga1	H5	108.281
H3	Ga1	H6	108.281	H3	Ga2	H4	83.616
H3	Ga2	H7	108.281	H3	Ga2	H8	108.281
H4	Ga1	H5	108.281	H4	Ga1	H6	108.281
H4	Ga2	H7	108.281	H4	Ga2	H8	108.281
H5	Ga1	H6	130.225	H7	Ga2	H8	130.225

All results from a given calculation for Ga₂H₆ (digallane)

using model chemistry: B2PLYP/6-311G**

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	0.416
2	Ga	0.416
3	H	-0.156
4	H	-0.156
5	H	-0.130
6	H	-0.130
7	H	-0.130
8	H	-0.130

<r²>	157.121
(<r²>)^1/2	12.535

All results from a given calculation for Ga2H6 (digallane)

using model chemistry: B2PLYP/6-311G**

States and conformations

All results from a given calculation for Ga₂H₆ (digallane)