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	hartrees
Energy at 0K	-261.534382
Energy at 298.15K	-261.535023
HF Energy	-261.327458
Nuclear repulsion energy	27.131345

Atom	x (Å)	y (Å)	z (Å)
Na1	0.000	0.000	0.869
F2	0.000	0.000	-1.062

	Na1	F2
Na1		1.9307
F2	1.9307

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

using model chemistry: QCISD(TQ)/cc-pVDZ

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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