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	hartrees
Energy at 0K	-1059.799816
Energy at 298.15K
HF Energy	-1059.751491
Nuclear repulsion energy	62.583437

Atom	x (Å)	y (Å)	z (Å)
K1	0.000	0.000	1.290
Cl2	0.000	0.000	-1.441

	K1	Cl2
K1		2.7311
Cl2	2.7311

Number	Element	Mulliken	CHELPG	AIM	ESP
1	K	0.792
2	Cl	-0.792

	x	y	z
x	2.983	0.000	0.000
y	0.000	2.983	0.000
z	0.000	0.000	5.675

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

using model chemistry: B2PLYP/6-31G*

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>	82.645
(<r²>)^1/2	9.091