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	hartrees
Energy at 0K	-1059.804746
Energy at 298.15K	-1059.805397
HF Energy	-1059.804746
Nuclear repulsion energy	63.528851

Atom	x (Å)	y (Å)	z (Å)
K1	0.000	0.000	1.271
Cl2	0.000	0.000	-1.420

	K1	Cl2
K1		2.6905
Cl2	2.6905

Number	Element	Mulliken	CHELPG	AIM	ESP
1	K	0.667
2	Cl	-0.667

	x	y	z	Total
	0.000	0.000	9.845	9.845
CHELPG
AIM
ESP

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

using model chemistry: PBEPBE/Def2TZVPP

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>	80.611
(<r²>)^1/2	8.978