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	hartrees
Energy at 0K	-342.369423
Energy at 298.15K
HF Energy	-342.369423
Nuclear repulsion energy	36.354442

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	0.697
F2	0.000	0.000	-1.006

	Al1	F2
Al1		1.7031
F2	1.7031

Number	Element	Mulliken	CHELPG	AIM	ESP
1	Al	0.562
2	F	-0.562

	x	y	z	Total
	0.000	0.000	1.769	1.769
CHELPG	0.000	0.000	0.000	0.000
AIM
ESP

All results from a given calculation for AlF (Aluminum monofluoride)

using model chemistry: B3LYP/aug-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>	26.416
(<r²>)^1/2	5.140