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	hartrees
Energy at 0K	-3845.898690
Energy at 298.15K	-3845.905950
HF Energy	-3845.769694
Nuclear repulsion energy	293.208005

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1959	1888	0.00
2	A_g	1481	1427	0.00
3	A_g	716	690	0.00
4	A_g	231	223	0.00
5	A_u	451	434	0.00
6	B_1g	1959	1888	0.00
7	B_1g	455	439	0.00
8	B_1u	1232	1187	353.30
9	B_1u	618	596	170.49
10	B_2g	1299	1251	0.00
11	B_2g	370	356	0.00
12	B_2u	1966	1895	391.71
13	B_2u	823	793	250.59
14	B_2u	207	199	5.67
15	B_3g	763	735	0.00
16	B_3u	1953	1882	124.52
17	B_3u	1369	1319	1260.23
18	B_3u	669	645	585.09

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	1.189
H4	0.000	0.000	-1.189
H5	1.986	1.436	0.000
H6	1.986	-1.436	0.000
H7	-1.986	1.436	0.000
H8	-1.986	-1.436	0.000

	Ga1	Ga2	H3	H4	H5	H6	H7	H8
Ga1		2.6226	1.7701	1.7701	1.5866	1.5866	3.5964	3.5964
Ga2	2.6226		1.7701	1.7701	3.5964	3.5964	1.5866	1.5866
H3	1.7701	1.7701		2.3779	2.7240	2.7240	2.7240	2.7240
H4	1.7701	1.7701	2.3779		2.7240	2.7240	2.7240	2.7240
H5	1.5866	3.5964	2.7240	2.7240		2.8720	3.9720	4.9016
H6	1.5866	3.5964	2.7240	2.7240	2.8720		4.9016	3.9720
H7	3.5964	1.5866	2.7240	2.7240	3.9720	4.9016		2.8720
H8	3.5964	1.5866	2.7240	2.7240	4.9016	3.9720	2.8720

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Ga1	Ga2	H3	42.198	Ga1	Ga2	H4	42.198
Ga1	Ga2	H7	115.167	Ga1	Ga2	H8	115.167
Ga1	H3	Ga2	95.603	Ga1	H4	Ga2	95.603
Ga2	Ga1	H3	42.198	Ga2	Ga1	H4	42.198
Ga2	Ga1	H5	115.167	Ga2	Ga1	H6	115.167
H3	Ga1	H4	84.397	H3	Ga1	H5	108.363
H3	Ga1	H6	108.363	H3	Ga2	H4	84.397
H3	Ga2	H7	108.363	H3	Ga2	H8	108.363
H4	Ga1	H5	108.363	H4	Ga1	H6	108.363
H4	Ga2	H7	108.363	H4	Ga2	H8	108.363
H5	Ga1	H6	129.666	H7	Ga2	H8	129.666

All results from a given calculation for Ga₂H₆ (digallane)

using model chemistry: QCISD/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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All results from a given calculation for Ga2H6 (digallane)

using model chemistry: QCISD/6-31G

States and conformations

All results from a given calculation for Ga₂H₆ (digallane)