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	hartrees
Energy at 0K	-340.254940
Energy at 298.15K
HF Energy	-340.254940
Nuclear repulsion energy	36.787275

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	0.689
F2	0.000	0.000	-0.995

	Al1	F2
Al1		1.6830
F2	1.6830

Number	Element	Mulliken	CHELPG	AIM	ESP
1	Al	0.417
2	F	-0.417

	x	y	z	Total
	0.000	0.000	0.681	0.681
CHELPG
AIM
ESP

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

using model chemistry: HSEh1PBE/3-21G

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>	26.294
(<r²>)^1/2	5.128