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	hartrees
Energy at 0K	-2024.442605
Energy at 298.15K	-2024.442905
HF Energy	-2024.442605
Nuclear repulsion energy	81.731276

Atom	x (Å)	y (Å)	z (Å)
Ga1	0.000	0.000	0.406
F2	0.000	0.000	-1.400

	Ga1	F2
Ga1		1.8064
F2	1.8064

Number	Element	Mulliken	CHELPG	AIM	ESP
1	Ga	0.328
2	F	-0.328

	x	y	z	Total
	0.000	0.000	2.085	2.085
CHELPG
AIM
ESP

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

using model chemistry: PBEPBEultrafine/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>	35.949
(<r²>)^1/2	5.996