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	hartrees
Energy at 0K	-337.636459
Energy at 298.15K
HF Energy	-337.636459
Nuclear repulsion energy	37.354474

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	0.678
F2	0.000	0.000	-0.979

	Al1	F2
Al1		1.6575
F2	1.6575

Number	Element	Mulliken	CHELPG	AIM	ESP
1	Al	0.250
2	F	-0.250

	x	y	z	Total
	0.000	0.000	0.445	0.445
CHELPG
AIM
ESP

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

using model chemistry: PBEPBE/STO-3G

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>	22.743
(<r²>)^1/2	4.769