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	hartrees
Energy at 0K	-615.443841
Energy at 298.15K	-615.444455
HF Energy	-615.443841
Nuclear repulsion energy	44.548995

Atom	x (Å)	y (Å)	z (Å)
Na1	0.000	0.000	-1.349
Cl2	0.000	0.000	0.873

	Na1	Cl2
Na1		2.2213
Cl2	2.2213

Number	Element	Mulliken	CHELPG	AIM	ESP
1	Na	0.702
2	Cl	-0.702

	x	y	z	Total
	0.000	0.000	-8.331	8.331
CHELPG
AIM
ESP

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

using model chemistry: BLYP/STO-3G

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>	41.831
(<r²>)^1/2	6.468