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	hartrees
Energy at 0K	-15.198558
Energy at 298.15K	-15.199041
HF Energy	-15.198558
Nuclear repulsion energy	1.511314

Atom	x (Å)	y (Å)	z (Å)
Na1	0.000	0.000	-2.145
Cl2	0.000	0.000	0.306

	Na1	Cl2
Na1		2.4510
Cl2	2.4510

Number	Element	Mulliken	CHELPG	AIM	ESP
1	Na	0.601
2	Cl	-0.601

	x	y	z	Total
	0.000	0.000	-9.330	9.330
CHELPG
AIM
ESP

All results from a given calculation for NaCl (Sodium Chloride)

using model chemistry: B3LYP/CEP-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>	10.969
(<r²>)^1/2	3.312