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	hartrees
Energy at 0K	-341.641801
Energy at 298.15K	-341.641817
HF Energy	-341.407475
Nuclear repulsion energy	37.198525

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	0.679
F2	0.000	0.000	-0.981

	Al1	F2
Al1		1.6603
F2	1.6603

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

using model chemistry: MP3=FULL/6-31G*

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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