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	hartrees
Energy at 0K	-342.144747
Energy at 298.15K
HF Energy	-342.144747
Nuclear repulsion energy	36.301365

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	0.698
F2	0.000	0.000	-1.008

	Al1	F2
Al1		1.7055
F2	1.7055

Number	Element	Mulliken	CHELPG	AIM	ESP
1	Al	0.379
2	F	-0.379

	x	y	z	Total
	0.000	0.000	1.590	1.590
CHELPG
AIM
ESP

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

using model chemistry: PBEPBEultrafine/TZVP

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>	26.408
(<r²>)^1/2	5.139