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	hartrees
Energy at 0K	-622.560045
Energy at 298.15K
HF Energy	-622.560045
Nuclear repulsion energy	41.207371

Atom	x (Å)	y (Å)	z (Å)
Na1	0.000	0.000	-1.457
Cl2	0.000	0.000	0.943

	Na1	Cl2
Na1		2.3993
Cl2	2.3993

All results from a given calculation for NaCl (Sodium Chloride)

using model chemistry: wB97X-D/6-311G**

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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