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	hartrees
Energy at 0K	-622.338555
Energy at 298.15K	-622.339077
HF Energy	-622.338555
Nuclear repulsion energy	41.832972

Atom	x (Å)	y (Å)	z (Å)
Na1	0.000	0.000	-1.436
Cl2	0.000	0.000	0.929

	Na1	Cl2
Na1		2.3655
Cl2	2.3655

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

	x	y	z	Total
	0.000	0.000	-8.692	8.692
CHELPG
AIM
ESP

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

using model chemistry: PBE1PBE/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>	47.656
(<r²>)^1/2	6.903