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	hartrees
Energy at 0K	-261.655260
Energy at 298.15K	-261.655862
HF Energy	-261.369841
Nuclear repulsion energy	26.280917

Atom	x (Å)	y (Å)	z (Å)
Na1	0.000	0.000	0.897
F2	0.000	0.000	-1.096

	Na1	F2
Na1		1.9934
F2	1.9934

All results from a given calculation for NaF (sodium fluoride)

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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