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	hartrees
Energy at 0K	-465.351496
Energy at 298.15K
HF Energy	-465.333367
Nuclear repulsion energy	12.875410

Atom	x (Å)	y (Å)	z (Å)
Li1	0.000	0.000	-1.782
Cl2	0.000	0.000	0.314

	Li1	Cl2
Li1		2.0961
Cl2	2.0961

All results from a given calculation for LiCl (lithium chloride)

using model chemistry: B2PLYP=FULLultrafine/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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