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	hartrees
Energy at 0K	-698.677101
Energy at 298.15K	-698.677827
Nuclear repulsion energy	39.875088

Atom	x (Å)	y (Å)	z (Å)
K1	0.000	0.000	0.729
F2	0.000	0.000	-1.540

	K1	F2
K1		2.2693
F2	2.2693

All results from a given calculation for KF (Potassium Fluoride)

using model chemistry: CCD/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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