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	hartrees
Energy at 0K	-621.620587
Energy at 298.15K	-621.621085
HF Energy	-621.438672
Nuclear repulsion energy	41.046842

Atom	x (Å)	y (Å)	z (Å)
Na1	0.000	0.000	-1.464
Cl2	0.000	0.000	0.947

	Na1	Cl2
Na1		2.4109
Cl2	2.4109

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

using model chemistry: CCSD(T)=FULL/aug-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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