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	hartrees
Energy at 0K	-3850.631079
Energy at 298.15K
HF Energy	-3850.024125
Nuclear repulsion energy	306.364489

Atom	x (Å)	y (Å)	z (Å)
Ga1	1.253	0.000	0.000
Ga2	-1.253	0.000	0.000
H3	0.000	0.000	1.143
H4	0.000	0.000	-1.143
H5	1.906	1.381	0.000
H6	1.906	-1.381	0.000
H7	-1.906	1.381	0.000
H8	-1.906	-1.381	0.000

	Ga1	Ga2	H3	H4	H5	H6	H7	H8
Ga1		2.5056	1.6959	1.6959	1.5279	1.5279	3.4479	3.4479
Ga2	2.5056		1.6959	1.6959	3.4479	3.4479	1.5279	1.5279
H3	1.6959	1.6959		2.2860	2.6169	2.6169	2.6169	2.6169
H4	1.6959	1.6959	2.2860		2.6169	2.6169	2.6169	2.6169
H5	1.5279	3.4479	2.6169	2.6169		2.7620	3.8130	4.7083
H6	1.5279	3.4479	2.6169	2.6169	2.7620		4.7083	3.8130
H7	3.4479	1.5279	2.6169	2.6169	3.8130	4.7083		2.7620
H8	3.4479	1.5279	2.6169	2.6169	4.7083	3.8130	2.7620

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Ga1	Ga2	H3	42.376	Ga1	Ga2	H4	42.376
Ga1	Ga2	H7	115.330	Ga1	Ga2	H8	115.330
Ga1	H3	Ga2	95.248	Ga1	H4	Ga2	95.248
Ga2	Ga1	H3	42.376	Ga2	Ga1	H4	42.376
Ga2	Ga1	H5	115.330	Ga2	Ga1	H6	115.330
H3	Ga1	H4	84.752	H3	Ga1	H5	108.424
H3	Ga1	H6	108.424	H3	Ga2	H4	84.752
H3	Ga2	H7	108.424	H3	Ga2	H8	108.424
H4	Ga1	H5	108.424	H4	Ga1	H6	108.424
H4	Ga2	H7	108.424	H4	Ga2	H8	108.424
H5	Ga1	H6	129.340	H7	Ga2	H8	129.340

All results from a given calculation for Ga₂H₆ (digallane)

using model chemistry: MP4=FULL/aug-cc-pVTZ

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: MP4=FULL/aug-cc-pVTZ

States and conformations

All results from a given calculation for Ga₂H₆ (digallane)