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	hartrees
Energy at 0K	-695.201815
Energy at 298.15K	-695.202617
Nuclear repulsion energy	41.833034

Atom	x (Å)	y (Å)	z (Å)
K1	0.000	0.000	0.695
F2	0.000	0.000	-1.468

	K1	F2
K1		2.1631
F2	2.1631

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

using model chemistry: CISD/3-21G*

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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