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	hartrees
Energy at 0K	-622.578910
Energy at 298.15K	-622.579422
HF Energy	-622.578910
Nuclear repulsion energy	41.599696

Atom	x (Å)	y (Å)	z (Å)
Na1	0.000	0.000	-1.444
Cl2	0.000	0.000	0.935

	Na1	Cl2
Na1		2.3788
Cl2	2.3788

Number	Element	Mulliken	CHELPG	AIM	ESP
1	Na	0.580
2	Cl	-0.580

	x	y	z	Total
	0.000	0.000	-8.888	8.888
CHELPG
AIM
ESP

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

using model chemistry: mPW1PW91/cc-pVDZ

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>	48.043
(<r²>)^1/2	6.931