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	hartrees
Energy at 0K	-3853.318546
Energy at 298.15K	-3853.325940
HF Energy	-3853.318546
Nuclear repulsion energy	294.936161

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2021	1954	0.00
2	A_g	1520	1469	0.00
3	A_g	735	710	0.00
4	A_g	230	222	0.00
5	A_u	459	444	0.00
6	B_1g	2031	1964	0.00
7	B_1g	485	469	0.00
8	B_1u	1250	1209	232.80
9	B_1u	651	629	123.23
10	B_2g	1301	1258	0.00
11	B_2g	400	387	0.00
12	B_2u	2038	1971	361.51
13	B_2u	784	758	133.17
14	B_2u	230	223	5.70
15	B_3g	767	742	0.00
16	B_3u	2017	1950	128.11
17	B_3u	1333	1289	1001.32
18	B_3u	673	651	551.21

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	1.173
H4	0.000	0.000	-1.173
H5	1.960	1.409	0.000
H6	1.960	-1.409	0.000
H7	-1.960	1.409	0.000
H8	-1.960	-1.409	0.000

	Ga1	Ga2	H3	H4	H5	H6	H7	H8
Ga1		2.6184	1.7575	1.7575	1.5520	1.5520	3.5598	3.5598
Ga2	2.6184		1.7575	1.7575	3.5598	3.5598	1.5520	1.5520
H3	1.7575	1.7575		2.3451	2.6835	2.6835	2.6835	2.6835
H4	1.7575	1.7575	2.3451		2.6835	2.6835	2.6835	2.6835
H5	1.5520	3.5598	2.6835	2.6835		2.8179	3.9198	4.8276
H6	1.5520	3.5598	2.6835	2.6835	2.8179		4.8276	3.9198
H7	3.5598	1.5520	2.6835	2.6835	3.9198	4.8276		2.8179
H8	3.5598	1.5520	2.6835	2.6835	4.8276	3.9198	2.8179

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Ga1	Ga2	H3	41.848	Ga1	Ga2	H4	41.848
Ga1	Ga2	H7	114.789	Ga1	Ga2	H8	114.789
Ga1	H3	Ga2	96.303	Ga1	H4	Ga2	96.303
Ga2	Ga1	H3	41.848	Ga2	Ga1	H4	41.848
Ga2	Ga1	H5	114.789	Ga2	Ga1	H6	114.789
H3	Ga1	H4	83.697	H3	Ga1	H5	108.199
H3	Ga1	H6	108.199	H3	Ga2	H4	83.697
H3	Ga2	H7	108.199	H3	Ga2	H8	108.199
H4	Ga1	H5	108.199	H4	Ga1	H6	108.199
H4	Ga2	H7	108.199	H4	Ga2	H8	108.199
H5	Ga1	H6	130.423	H7	Ga2	H8	130.423

All results from a given calculation for Ga₂H₆ (digallane)

using model chemistry: B3LYP/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	0.406
2	Ga	0.406
3	H	-0.149
4	H	-0.149
5	H	-0.128
6	H	-0.128
7	H	-0.128
8	H	-0.128

<r²>	156.684
(<r²>)^1/2	12.517

All results from a given calculation for Ga2H6 (digallane)

using model chemistry: B3LYP/6-311G**

States and conformations

All results from a given calculation for Ga₂H₆ (digallane)