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	hartrees
Energy at 0K	-2733.536441
Energy at 298.15K	-2733.539808
Nuclear repulsion energy	81.750795

Atom	x (Å)	y (Å)	z (Å)
Na1	0.000	0.000	-1.896
Br2	0.000	0.000	0.596

	Na1	Br2
Na1		2.4921
Br2	2.4921

Number	Element	Mulliken	CHELPG	AIM	ESP
1	Na	0.468
2	Br	-0.468

	x	y	z	Total
	0.000	0.000	-8.070	8.070
CHELPG
AIM
ESP

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

using model chemistry: PBEPBE/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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<r²>	64.743
(<r²>)^1/2	8.046