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	hartrees
Energy at 0K	-3850.195175
Energy at 298.15K
HF Energy	-3849.883199
Nuclear repulsion energy	296.672089

Atom	x (Å)	y (Å)	z (Å)
Ga1	1.300	0.000	0.000
Ga2	-1.300	0.000	0.000
H3	0.000	0.000	1.169
H4	0.000	0.000	-1.169
H5	1.945	1.413	0.000
H6	1.945	-1.413	0.000
H7	-1.945	1.413	0.000
H8	-1.945	-1.413	0.000

	Ga1	Ga2	H3	H4	H5	H6	H7	H8
Ga1		2.5992	1.7477	1.7477	1.5530	1.5530	3.5388	3.5388
Ga2	2.5992		1.7477	1.7477	3.5388	3.5388	1.5530	1.5530
H3	1.7477	1.7477		2.3370	2.6728	2.6728	2.6728	2.6728
H4	1.7477	1.7477	2.3370		2.6728	2.6728	2.6728	2.6728
H5	1.5530	3.5388	2.6728	2.6728		2.8250	3.8902	4.8077
H6	1.5530	3.5388	2.6728	2.6728	2.8250		4.8077	3.8902
H7	3.5388	1.5530	2.6728	2.6728	3.8902	4.8077		2.8250
H8	3.5388	1.5530	2.6728	2.6728	4.8077	3.8902	2.8250

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Ga1	Ga2	H3	41.960	Ga1	Ga2	H4	41.960
Ga1	Ga2	H7	114.561	Ga1	Ga2	H8	114.561
Ga1	H3	Ga2	96.079	Ga1	H4	Ga2	96.079
Ga2	Ga1	H3	41.960	Ga2	Ga1	H4	41.960
Ga2	Ga1	H5	114.561	Ga2	Ga1	H6	114.561
H3	Ga1	H4	83.921	H3	Ga1	H5	108.004
H3	Ga1	H6	108.004	H3	Ga2	H4	83.921
H3	Ga2	H7	108.004	H3	Ga2	H8	108.004
H4	Ga1	H5	108.004	H4	Ga1	H6	108.004
H4	Ga2	H7	108.004	H4	Ga2	H8	108.004
H5	Ga1	H6	130.878	H7	Ga2	H8	130.878

All results from a given calculation for Ga₂H₆ (digallane)

using model chemistry: CCSD(T)=FULL/aug-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: CCSD(T)=FULL/aug-cc-pVDZ

States and conformations

All results from a given calculation for Ga₂H₆ (digallane)