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	hartrees
Energy at 0K	-2024.885851
Energy at 298.15K	-2024.886150
HF Energy	-2024.885851
Nuclear repulsion energy	81.917977

Atom	x (Å)	y (Å)	z (Å)
Ga1	0.000	0.000	0.406
F2	0.000	0.000	-1.397

	Ga1	F2
Ga1		1.8023
F2	1.8023

Number	Element	Mulliken	CHELPG	AIM	ESP
1	Ga	0.335
2	F	-0.335

	x	y	z	Total
	0.000	0.000	2.493	2.493
CHELPG
AIM
ESP

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

using model chemistry: B3LYPultrafine/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>	36.018
(<r²>)^1/2	6.001