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	hartrees
Energy at 0K	-2024.908299
Energy at 298.15K
HF Energy	-2024.908299
Nuclear repulsion energy	80.822972

Atom	x (Å)	y (Å)	z (Å)
Ga1	0.000	0.000	0.411
F2	0.000	0.000	-1.416

	Ga1	F2
Ga1		1.8267
F2	1.8267

Number	Element	Mulliken	CHELPG	AIM	ESP
1	Ga	0.262
2	F	-0.262

	x	y	z	Total
	0.000	0.000	2.547	2.547
CHELPG
AIM
ESP

All results from a given calculation for GaF (Gallium monofluoride)

using model chemistry: BLYP/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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<r²>	36.699
(<r²>)^1/2	6.058