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	hartrees
Energy at 0K	-3850.568322
Energy at 298.15K
HF Energy	-3850.032312
Nuclear repulsion energy	305.133406

Atom	x (Å)	y (Å)	z (Å)
Ga1	1.259	0.000	0.000
Ga2	-1.259	0.000	0.000
H3	0.000	0.000	1.151
H4	0.000	0.000	-1.151
H5	1.903	1.382	0.000
H6	1.903	-1.382	0.000
H7	-1.903	1.382	0.000
H8	-1.903	-1.382	0.000

	Ga1	Ga2	H3	H4	H5	H6	H7	H8
Ga1		2.5189	1.7059	1.7059	1.5248	1.5248	3.4517	3.4517
Ga2	2.5189		1.7059	1.7059	3.4517	3.4517	1.5248	1.5248
H3	1.7059	1.7059		2.3014	2.6186	2.6186	2.6186	2.6186
H4	1.7059	1.7059	2.3014		2.6186	2.6186	2.6186	2.6186
H5	1.5248	3.4517	2.6186	2.6186		2.7642	3.8069	4.7046
H6	1.5248	3.4517	2.6186	2.6186	2.7642		4.7046	3.8069
H7	3.4517	1.5248	2.6186	2.6186	3.8069	4.7046		2.7642
H8	3.4517	1.5248	2.6186	2.6186	4.7046	3.8069	2.7642

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Ga1	Ga2	H3	42.416	Ga1	Ga2	H4	42.416
Ga1	Ga2	H7	114.983	Ga1	Ga2	H8	114.983
Ga1	H3	Ga2	95.167	Ga1	H4	Ga2	95.167
Ga2	Ga1	H3	42.416	Ga2	Ga1	H4	42.416
Ga2	Ga1	H5	114.983	Ga2	Ga1	H6	114.983
H3	Ga1	H4	84.833	H3	Ga1	H5	108.168
H3	Ga1	H6	108.168	H3	Ga2	H4	84.833
H3	Ga2	H7	108.168	H3	Ga2	H8	108.168
H4	Ga1	H5	108.168	H4	Ga1	H6	108.168
H4	Ga2	H7	108.168	H4	Ga2	H8	108.168
H5	Ga1	H6	130.033	H7	Ga2	H8	130.033

All results from a given calculation for Ga₂H₆ (digallane)

using model chemistry: MP2/cc-pVQZ

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-pVQZ

States and conformations

All results from a given calculation for Ga₂H₆ (digallane)