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	hartrees
Energy at 0K	-622.498948
Energy at 298.15K	-622.499459
HF Energy	-622.498948
Nuclear repulsion energy	41.508746

Atom	x (Å)	y (Å)	z (Å)
Na1	0.000	0.000	-1.447
Cl2	0.000	0.000	0.937

	Na1	Cl2
Na1		2.3840
Cl2	2.3840

Number	Element	Mulliken	CHELPG	AIM	ESP
1	Na	0.581
2	Cl	-0.581

	x	y	z	Total
	0.000	0.000	-8.867	8.867
CHELPG
AIM
ESP

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

using model chemistry: B3PW91/cc-pCVDZ

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>	48.208
(<r²>)^1/2	6.943