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	hartrees
Energy at 0K	-3850.092592
Energy at 298.15K	-3850.100055
HF Energy	-3849.881745
Nuclear repulsion energy	295.641462

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2040	1943	0.00
2	A_g	1554	1480	0.00
3	A_g	761	724	0.00
4	A_g	242	230	0.00
5	A_u	467	444	0.00
6	B_1g	2042	1945	0.00
7	B_1g	485	462	0.00
8	B_1u	1273	1213	293.33
9	B_1u	664	633	165.71
10	B_2g	1343	1279	0.00
11	B_2g	404	385	0.00
12	B_2u	2047	1950	355.15
13	B_2u	813	774	167.22
14	B_2u	220	210	7.51
15	B_3g	788	751	0.00
16	B_3u	2033	1937	125.74
17	B_3u	1384	1318	1148.96
18	B_3u	704	671	600.98

Atom	x (Å)	y (Å)	z (Å)
Ga1	1.305	0.000	0.000
Ga2	-1.305	0.000	0.000
H3	0.000	0.000	1.175
H4	0.000	0.000	-1.175
H5	1.964	1.405	0.000
H6	1.964	-1.405	0.000
H7	-1.964	1.405	0.000
H8	-1.964	-1.405	0.000

	Ga1	Ga2	H3	H4	H5	H6	H7	H8
Ga1		2.6092	1.7560	1.7560	1.5526	1.5526	3.5582	3.5582
Ga2	2.6092		1.7560	1.7560	3.5582	3.5582	1.5526	1.5526
H3	1.7560	1.7560		2.3507	2.6861	2.6861	2.6861	2.6861
H4	1.7560	1.7560	2.3507		2.6861	2.6861	2.6861	2.6861
H5	1.5526	3.5582	2.6861	2.6861		2.8110	3.9284	4.8305
H6	1.5526	3.5582	2.6861	2.6861	2.8110		4.8305	3.9284
H7	3.5582	1.5526	2.6861	2.6861	3.9284	4.8305		2.8110
H8	3.5582	1.5526	2.6861	2.6861	4.8305	3.9284	2.8110

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Ga1	Ga2	H3	42.016	Ga1	Ga2	H4	42.016
Ga1	Ga2	H7	115.141	Ga1	Ga2	H8	115.141
Ga1	H3	Ga2	95.968	Ga1	H4	Ga2	95.968
Ga2	Ga1	H3	42.016	Ga2	Ga1	H4	42.016
Ga2	Ga1	H5	115.141	Ga2	Ga1	H6	115.141
H3	Ga1	H4	84.032	H3	Ga1	H5	108.400
H3	Ga1	H6	108.400	H3	Ga2	H4	84.032
H3	Ga2	H7	108.400	H3	Ga2	H8	108.400
H4	Ga1	H5	108.400	H4	Ga1	H6	108.400
H4	Ga2	H7	108.400	H4	Ga2	H8	108.400
H5	Ga1	H6	129.718	H7	Ga2	H8	129.718

All results from a given calculation for Ga₂H₆ (digallane)

using model chemistry: MP2/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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All results from a given calculation for Ga2H6 (digallane)

using model chemistry: MP2/cc-pVDZ

States and conformations

All results from a given calculation for Ga₂H₆ (digallane)