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	hartrees
Energy at 0K	-3844.532735
Energy at 298.15K	-3844.539943
HF Energy	-3844.532735
Nuclear repulsion energy	307.090860

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2032	1991	0.00
2	A_g	1535	1504	0.00
3	A_g	713	699	0.00
4	A_g	241	236	0.00
5	A_u	457	448	0.00
6	B_1g	2042	2001	0.00
7	B_1g	461	452	0.00
8	B_1u	1345	1318	172.65
9	B_1u	616	603	75.22
10	B_2g	1366	1339	0.00
11	B_2g	418	410	0.00
12	B_2u	2051	2009	314.37
13	B_2u	694	680	105.16
14	B_2u	175	171	3.58
15	B_3g	679	666	0.00
16	B_3u	2026	1985	123.57
17	B_3u	1336	1309	766.73
18	B_3u	665	652	366.55

Atom	x (Å)	y (Å)	z (Å)
Ga1	1.241	0.000	0.000
Ga2	-1.241	0.000	0.000
H3	0.000	0.000	1.195
H4	0.000	0.000	-1.195
H5	1.893	1.407	0.000
H6	1.893	-1.407	0.000
H7	-1.893	1.407	0.000
H8	-1.893	-1.407	0.000

	Ga1	Ga2	H3	H4	H5	H6	H7	H8
Ga1		2.4820	1.7230	1.7230	1.5507	1.5507	3.4357	3.4357
Ga2	2.4820		1.7230	1.7230	3.4357	3.4357	1.5507	1.5507
H3	1.7230	1.7230		2.3906	2.6444	2.6444	2.6444	2.6444
H4	1.7230	1.7230	2.3906		2.6444	2.6444	2.6444	2.6444
H5	1.5507	3.4357	2.6444	2.6444		2.8135	3.7869	4.7177
H6	1.5507	3.4357	2.6444	2.6444	2.8135		4.7177	3.7869
H7	3.4357	1.5507	2.6444	2.6444	3.7869	4.7177		2.8135
H8	3.4357	1.5507	2.6444	2.6444	4.7177	3.7869	2.8135

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Ga1	Ga2	H3	43.925	Ga1	Ga2	H4	43.925
Ga1	Ga2	H7	114.882	Ga1	Ga2	H8	114.882
Ga1	H3	Ga2	92.149	Ga1	H4	Ga2	92.149
Ga2	Ga1	H3	43.925	Ga2	Ga1	H4	43.925
Ga2	Ga1	H5	114.882	Ga2	Ga1	H6	114.882
H3	Ga1	H4	87.851	H3	Ga1	H5	107.641
H3	Ga1	H6	107.641	H3	Ga2	H4	87.851
H3	Ga2	H7	107.641	H3	Ga2	H8	107.641
H4	Ga1	H5	107.641	H4	Ga1	H6	107.641
H4	Ga2	H7	107.641	H4	Ga2	H8	107.641
H5	Ga1	H6	130.236	H7	Ga2	H8	130.236

All results from a given calculation for Ga₂H₆ (digallane)

using model chemistry: LSDA/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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Number	Element	Mulliken
1	Ga	0.214
2	Ga	0.214
3	H	-0.135
4	H	-0.135
5	H	-0.039
6	H	-0.039
7	H	-0.039
8	H	-0.039

<r²>	144.922
(<r²>)^1/2	12.038

All results from a given calculation for Ga2H6 (digallane)

using model chemistry: LSDA/6-31G

States and conformations

All results from a given calculation for Ga₂H₆ (digallane)