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	hartrees
Energy at 0K	-603.557379
Energy at 298.15K	-603.557925
HF Energy	-603.533320
Nuclear repulsion energy	8.675196

Atom	x (Å)	y (Å)	z (Å)
Li1	0.000	0.000	-3.003
K2	0.000	0.000	0.474

	Li1	K2
Li1		3.4769
K2	3.4769

All results from a given calculation for LiK (Lithium Potassium)

using model chemistry: CCD/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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