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	hartrees
Energy at 0K	-1058.846318
Energy at 298.15K	-1058.846966
Nuclear repulsion energy	62.321109

Atom	x (Å)	y (Å)	z (Å)
K1	0.000	0.000	1.295
Cl2	0.000	0.000	-1.448

	K1	Cl2
K1		2.7427
Cl2	2.7427

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

using model chemistry: CCSD(T)/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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