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	hartrees
Energy at 0K	-2734.443892
Energy at 298.15K	-2734.447259
HF Energy	-2734.301752
Nuclear repulsion energy	80.349931

Atom	x (Å)	y (Å)	z (Å)
Na1	0.000	0.000	-1.929
Br2	0.000	0.000	0.606

	Na1	Br2
Na1		2.5355
Br2	2.5355

Number	Element	Mulliken	CHELPG	AIM	ESP
1	Na	0.690
2	Br	-0.690

	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: CCSD(T)/6-311G*

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>	0.000
(<r²>)^1/2	0.000