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	hartrees
Energy at 0K	-699.044365
Energy at 298.15K	-699.045143
Nuclear repulsion energy	41.747131

Atom	x (Å)	y (Å)	z (Å)
K1	0.000	0.000	0.697
F2	0.000	0.000	-1.471

	K1	F2
K1		2.1676
F2	2.1676

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

using model chemistry: QCISD/6-311G*

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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