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	hartrees
Energy at 0K	-2731.942865
Energy at 298.15K	-2731.946240
HF Energy	-2731.819116
Nuclear repulsion energy	80.916373

Atom	x (Å)	y (Å)	z (Å)
Na1	0.000	0.000	-1.916
Br2	0.000	0.000	0.602

	Na1	Br2
Na1		2.5178
Br2	2.5178

Number	Element	Mulliken	CHELPG	AIM	ESP
1	Na	0.590
2	Br	-0.590

	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: CID/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>	65.301
(<r²>)^1/2	8.081