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	hartrees
Energy at 0K	-488.579077
Energy at 298.15K	-488.579716
Nuclear repulsion energy	29.023181

Atom	x (Å)	y (Å)	z (Å)
K1	0.000	0.000	1.317
Cl2	0.000	0.000	-1.472

	K1	Cl2
K1		2.7896
Cl2	2.7896

Number	Element	Mulliken	CHELPG	AIM	ESP
1	K	0.720
2	Cl	-0.720

	x	y	z	Total
	0.000	0.000	10.989	10.989
CHELPG
AIM
ESP

All results from a given calculation for KCl (Potassium Chloride)

using model chemistry: B3LYP/SDD

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>	0.000
(<r²>)^1/2	0.000