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	hartrees
Energy at 0K	-3834.878722
Energy at 298.15K	-3834.885934
HF Energy	-3834.878722
Nuclear repulsion energy	296.040988

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1907	1807	0.00
2	A_g	1485	1407	0.00
3	A_g	727	689	0.00
4	A_g	234	221	0.00
5	A_u	435	412	0.00
6	B_1g	1906	1807	0.00
7	B_1g	470	446	0.00
8	B_1u	1259	1193	207.74
9	B_1u	623	591	103.02
10	B_2g	1292	1224	0.00
11	B_2g	362	343	0.00
12	B_2u	1912	1812	344.38
13	B_2u	764	724	119.62
14	B_2u	190	180	5.50
15	B_3g	756	717	0.00
16	B_3u	1899	1800	123.52
17	B_3u	1316	1248	1062.31
18	B_3u	675	640	456.94

Atom	x (Å)	y (Å)	z (Å)
Ga1	1.303	0.000	0.000
Ga2	-1.303	0.000	0.000
H3	0.000	0.000	1.197
H4	0.000	0.000	-1.197
H5	1.990	1.412	0.000
H6	1.990	-1.412	0.000
H7	-1.990	1.412	0.000
H8	-1.990	-1.412	0.000

	Ga1	Ga2	H3	H4	H5	H6	H7	H8
Ga1		2.6056	1.7692	1.7692	1.5700	1.5700	3.5826	3.5826
Ga2	2.6056		1.7692	1.7692	3.5826	3.5826	1.5700	1.5700
H3	1.7692	1.7692		2.3940	2.7176	2.7176	2.7176	2.7176
H4	1.7692	1.7692	2.3940		2.7176	2.7176	2.7176	2.7176
H5	1.5700	3.5826	2.7176	2.7176		2.8234	3.9798	4.8796
H6	1.5700	3.5826	2.7176	2.7176	2.8234		4.8796	3.9798
H7	3.5826	1.5700	2.7176	2.7176	3.9798	4.8796		2.8234
H8	3.5826	1.5700	2.7176	2.7176	4.8796	3.9798	2.8234

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Ga1	Ga2	H3	42.576	Ga1	Ga2	H4	42.576
Ga1	Ga2	H7	115.952	Ga1	Ga2	H8	115.952
Ga1	H3	Ga2	94.848	Ga1	H4	Ga2	94.848
Ga2	Ga1	H3	42.576	Ga2	Ga1	H4	42.576
Ga2	Ga1	H5	115.952	Ga2	Ga1	H6	115.952
H3	Ga1	H4	85.152	H3	Ga1	H5	108.800
H3	Ga1	H6	108.800	H3	Ga2	H4	85.152
H3	Ga2	H7	108.800	H3	Ga2	H8	108.800
H4	Ga1	H5	108.800	H4	Ga1	H6	108.800
H4	Ga2	H7	108.800	H4	Ga2	H8	108.800
H5	Ga1	H6	128.095	H7	Ga2	H8	128.095

All results from a given calculation for Ga₂H₆ (digallane)

using model chemistry: wB97X-D/3-21G*

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	-0.080
2	Ga	-0.080
3	H	-0.006
4	H	-0.006
5	H	0.043
6	H	0.043
7	H	0.043
8	H	0.043

<r²>	154.905
(<r²>)^1/2	12.446

All results from a given calculation for Ga2H6 (digallane)

using model chemistry: wB97X-D/3-21G*

States and conformations

All results from a given calculation for Ga₂H₆ (digallane)