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	hartrees
Energy at 0K	-341.801788
Energy at 298.15K
HF Energy	-341.473158
Nuclear repulsion energy	36.920536

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	0.686
F2	0.000	0.000	-0.991

	Al1	F2
Al1		1.6769
F2	1.6769

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

using model chemistry: QCISD/aug-cc-pVTZ

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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