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	hartrees
Energy at 0K	-3846.071009
Energy at 298.15K	-3846.078409
HF Energy	-3845.895997
Nuclear repulsion energy	297.851857

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2045	1927	0.00
2	A_g	1481	1396	0.00
3	A_g	736	694	0.00
4	A_g	232	219	0.00
5	A_u	482	454	0.00
6	B_1g	2047	1929	0.00
7	B_1g	502	473	0.00
8	B_1u	1253	1180	222.21
9	B_1u	676	637	146.67
10	B_2g	1290	1215	0.00
11	B_2g	417	393	0.00
12	B_2u	2052	1934	320.41
13	B_2u	792	747	144.25
14	B_2u	209	197	4.94
15	B_3g	800	754	0.00
16	B_3u	2038	1920	138.63
17	B_3u	1298	1223	1051.96
18	B_3u	674	635	564.65

Atom	x (Å)	y (Å)	z (Å)
Ga1	1.288	0.000	0.000
Ga2	-1.288	0.000	0.000
H3	0.000	0.000	1.204
H4	0.000	0.000	-1.204
H5	1.945	1.417	0.000
H6	1.945	-1.417	0.000
H7	-1.945	1.417	0.000
H8	-1.945	-1.417	0.000

	Ga1	Ga2	H3	H4	H5	H6	H7	H8
Ga1		2.5766	1.7635	1.7635	1.5613	1.5613	3.5298	3.5298
Ga2	2.5766		1.7635	1.7635	3.5298	3.5298	1.5613	1.5613
H3	1.7635	1.7635		2.4084	2.6905	2.6905	2.6905	2.6905
H4	1.7635	1.7635	2.4084		2.6905	2.6905	2.6905	2.6905
H5	1.5613	3.5298	2.6905	2.6905		2.8333	3.8895	4.8120
H6	1.5613	3.5298	2.6905	2.6905	2.8333		4.8120	3.8895
H7	3.5298	1.5613	2.6905	2.6905	3.8895	4.8120		2.8333
H8	3.5298	1.5613	2.6905	2.6905	4.8120	3.8895	2.8333

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Ga1	Ga2	H3	43.068	Ga1	Ga2	H4	43.068
Ga1	Ga2	H7	114.861	Ga1	Ga2	H8	114.861
Ga1	H3	Ga2	93.865	Ga1	H4	Ga2	93.865
Ga2	Ga1	H3	43.068	Ga2	Ga1	H4	43.068
Ga2	Ga1	H5	114.861	Ga2	Ga1	H6	114.861
H3	Ga1	H4	86.135	H3	Ga1	H5	107.887
H3	Ga1	H6	107.887	H3	Ga2	H4	86.135
H3	Ga2	H7	107.887	H3	Ga2	H8	107.887
H4	Ga1	H5	107.887	H4	Ga1	H6	107.887
H4	Ga2	H7	107.887	H4	Ga2	H8	107.887
H5	Ga1	H6	130.277	H7	Ga2	H8	130.277

All results from a given calculation for Ga₂H₆ (digallane)

using model chemistry: MP2=FULL/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: MP2=FULL/6-31G*

States and conformations

All results from a given calculation for Ga₂H₆ (digallane)