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	hartrees
Energy at 0K	-622.369079
Energy at 298.15K	-622.369599
HF Energy	-622.369079
Nuclear repulsion energy	41.811674

Atom	x (Å)	y (Å)	z (Å)
Na1	0.000	0.000	-1.437
Cl2	0.000	0.000	0.930

	Na1	Cl2
Na1		2.3667
Cl2	2.3667

Number	Element	Mulliken	CHELPG	AIM	ESP
1	Na	0.540
2	Cl	-0.540

	x	y	z	Total
	0.000	0.000	-8.688	8.688
CHELPG
AIM
ESP

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

using model chemistry: HSEh1PBE/cc-pCVTZ

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>	47.702
(<r²>)^1/2	6.907