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	hartrees
Energy at 0K	-3848.515428
Energy at 298.15K	-3848.522711
HF Energy	-3848.515428
Nuclear repulsion energy	300.361364

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1990	1968	0.00
2	A_g	1517	1500	0.00
3	A_g	702	694	0.00
4	A_g	231	229	0.00
5	A_u	465	460	0.00
6	B_1g	2009	1987	0.00
7	B_1g	477	471	0.00
8	B_1u	1297	1283	129.88
9	B_1u	628	621	69.72
10	B_2g	1354	1340	0.00
11	B_2g	429	425	0.00
12	B_2u	2016	1994	239.42
13	B_2u	700	692	70.56
14	B_2u	195	193	3.65
15	B_3g	721	713	0.00
16	B_3u	1988	1966	98.02
17	B_3u	1336	1321	752.72
18	B_3u	644	637	355.39

Atom	x (Å)	y (Å)	z (Å)
Ga1	1.278	0.000	0.000
Ga2	-1.278	0.000	0.000
H3	0.000	0.000	1.184
H4	0.000	0.000	-1.184
H5	1.920	1.414	0.000
H6	1.920	-1.414	0.000
H7	-1.920	1.414	0.000
H8	-1.920	-1.414	0.000

	Ga1	Ga2	H3	H4	H5	H6	H7	H8
Ga1		2.5558	1.7420	1.7420	1.5524	1.5524	3.4961	3.4961
Ga2	2.5558		1.7420	1.7420	3.4961	3.4961	1.5524	1.5524
H3	1.7420	1.7420		2.3678	2.6617	2.6617	2.6617	2.6617
H4	1.7420	1.7420	2.3678		2.6617	2.6617	2.6617	2.6617
H5	1.5524	3.4961	2.6617	2.6617		2.8272	3.8393	4.7679
H6	1.5524	3.4961	2.6617	2.6617	2.8272		4.7679	3.8393
H7	3.4961	1.5524	2.6617	2.6617	3.8393	4.7679		2.8272
H8	3.4961	1.5524	2.6617	2.6617	4.7679	3.8393	2.8272

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Ga1	Ga2	H3	42.812	Ga1	Ga2	H4	42.812
Ga1	Ga2	H7	114.416	Ga1	Ga2	H8	114.416
Ga1	H3	Ga2	94.375	Ga1	H4	Ga2	94.375
Ga2	Ga1	H3	42.812	Ga2	Ga1	H4	42.812
Ga2	Ga1	H5	114.416	Ga2	Ga1	H6	114.416
H3	Ga1	H4	85.625	H3	Ga1	H5	107.652
H3	Ga1	H6	107.652	H3	Ga2	H4	85.625
H3	Ga2	H7	107.652	H3	Ga2	H8	107.652
H4	Ga1	H5	107.652	H4	Ga1	H6	107.652
H4	Ga2	H7	107.652	H4	Ga2	H8	107.652
H5	Ga1	H6	131.168	H7	Ga2	H8	131.168

All results from a given calculation for Ga₂H₆ (digallane)

using model chemistry: LSDA/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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Number	Element	Mulliken
1	Ga	-0.027
2	Ga	-0.027
3	H	0.029
4	H	0.029
5	H	-0.001
6	H	-0.001
7	H	-0.001
8	H	-0.001

<r²>	150.680
(<r²>)^1/2	12.275

All results from a given calculation for Ga2H6 (digallane)

using model chemistry: LSDA/cc-pVDZ

States and conformations

All results from a given calculation for Ga₂H₆ (digallane)