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	hartrees
Energy at 0K	-2734.488475
Energy at 298.15K	-2734.491822
Nuclear repulsion energy	79.016275

Atom	x (Å)	y (Å)	z (Å)
Na1	0.000	0.000	-1.962
Br2	0.000	0.000	0.617

	Na1	Br2
Na1		2.5783
Br2	2.5783

All results from a given calculation for NaBr (Sodium Bromide)

using model chemistry: CCSD(T)/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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