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	hartrees
Energy at 0K	-2024.270297
Energy at 298.15K
HF Energy	-2024.176100
Nuclear repulsion energy	81.601794

Atom	x (Å)	y (Å)	z (Å)
Ga1	0.000	0.000	0.407
F2	0.000	0.000	-1.402

	Ga1	F2
Ga1		1.8093
F2	1.8093

Number	Element	Mulliken	CHELPG	AIM	ESP
1	Ga	0.525
2	F	-0.525

	x	y	z	Total
	0.000	0.000	2.511	2.511
CHELPG
AIM
ESP

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

using model chemistry: B2PLYP/daug-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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<r²>	36.329
(<r²>)^1/2	6.027