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	hartrees
Energy at 0K	-3807.458814
Energy at 298.15K
HF Energy	-3807.458814
Nuclear repulsion energy	366.416324

Atom	x (Å)	y (Å)	z (Å)
Ga1	1.006	0.000	0.000
Ga2	-1.006	0.000	0.000
H3	0.000	0.000	1.314
H4	0.000	0.000	-1.314
H5	1.698	1.158	0.000
H6	1.698	-1.158	0.000
H7	-1.698	1.158	0.000
H8	-1.698	-1.158	0.000

	Ga1	Ga2	H3	H4	H5	H6	H7	H8
Ga1		2.0112	1.6546	1.6546	1.3492	1.3492	2.9413	2.9413
Ga2	2.0112		1.6546	1.6546	2.9413	2.9413	1.3492	1.3492
H3	1.6546	1.6546		2.6278	2.4394	2.4394	2.4394	2.4394
H4	1.6546	1.6546	2.6278		2.4394	2.4394	2.4394	2.4394
H5	1.3492	2.9413	2.4394	2.4394		2.3157	3.3963	4.1107
H6	1.3492	2.9413	2.4394	2.4394	2.3157		4.1107	3.3963
H7	2.9413	1.3492	2.4394	2.4394	3.3963	4.1107		2.3157
H8	2.9413	1.3492	2.4394	2.4394	4.1107	3.3963	2.3157

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Ga1	Ga2	H3	52.571	Ga1	Ga2	H4	52.571
Ga1	Ga2	H7	120.885	Ga1	Ga2	H8	120.885
Ga1	H3	Ga2	74.859	Ga1	H4	Ga2	74.859
Ga2	Ga1	H3	52.571	Ga2	Ga1	H4	52.571
Ga2	Ga1	H5	120.885	Ga2	Ga1	H6	120.885
H3	Ga1	H4	105.141	H3	Ga1	H5	108.179
H3	Ga1	H6	108.179	H3	Ga2	H4	105.141
H3	Ga2	H7	108.179	H3	Ga2	H8	108.179
H4	Ga1	H5	108.179	H4	Ga1	H6	108.179
H4	Ga2	H7	108.179	H4	Ga2	H8	108.179
H5	Ga1	H6	118.229	H7	Ga2	H8	118.229

Number	Element	Mulliken
1	Ga	0.028
2	Ga	0.028
3	H	0.026
4	H	0.026
5	H	-0.027
6	H	-0.027
7	H	-0.027
8	H	-0.027

All results from a given calculation for Ga₂H₆ (digallane)

using model chemistry: PBEPBE/STO-3G

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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<r²>	107.776
(<r²>)^1/2	10.382

All results from a given calculation for Ga2H6 (digallane)

using model chemistry: PBEPBE/STO-3G

States and conformations

All results from a given calculation for Ga₂H₆ (digallane)