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	hartrees
Energy at 0K	-622.228561
Energy at 298.15K	-622.229057
HF Energy	-622.211888
Nuclear repulsion energy	40.925592

Atom	x (Å)	y (Å)	z (Å)
Na1	0.000	0.000	-1.468
Cl2	0.000	0.000	0.950

	Na1	Cl2
Na1		2.4180
Cl2	2.4180

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

using model chemistry: B2PLYP=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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