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	hartrees
Energy at 0K	-2732.170212
Energy at 298.15K	-2732.173584
HF Energy	-2731.993112
Nuclear repulsion energy	80.704877

Atom	x (Å)	y (Å)	z (Å)
Na1	0.000	0.000	-1.921
Br2	0.000	0.000	0.604

	Na1	Br2
Na1		2.5244
Br2	2.5244

Number	Element	Mulliken	CHELPG	AIM	ESP
1	Na	0.444
2	Br	-0.444

	x	y	z
x	0.000	0.000	0.000
y	0.000	0.000	0.000
z	0.000	0.000	0.000

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

using model chemistry: CCD/6-31G(2df,p)

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>	65.583
(<r²>)^1/2	8.098