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	hartrees
Energy at 0K	-2733.617970
Energy at 298.15K	-2733.621343
Nuclear repulsion energy	81.980783

Atom	x (Å)	y (Å)	z (Å)
Na1	0.000	0.000	-1.891
Br2	0.000	0.000	0.594

	Na1	Br2
Na1		2.4851
Br2	2.4851

Number	Element	Mulliken	CHELPG	AIM	ESP
1	Na	0.514
2	Br	-0.514

	x	y	z	Total
	0.000	0.000	-8.505	8.505
CHELPG
AIM
ESP

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

using model chemistry: HSEh1PBE/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>	64.194
(<r²>)^1/2	8.012