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	hartrees
Energy at 0K	-619.349900
Energy at 298.15K	-619.350398
HF Energy	-619.349900
Nuclear repulsion energy	41.218125

Atom	x (Å)	y (Å)	z (Å)
Na1	0.000	0.000	-1.458
Cl2	0.000	0.000	0.943

	Na1	Cl2
Na1		2.4008
Cl2	2.4008

Number	Element	Mulliken	CHELPG	AIM	ESP
1	Na	0.712
2	Cl	-0.712

	x	y	z	Total
	0.000	0.000	-9.464	9.464
CHELPG
AIM
ESP

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

using model chemistry: mPW1PW91/3-21G

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>	49.086
(<r²>)^1/2	7.006