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	hartrees
Energy at 0K	-467.650715
Energy at 298.15K
HF Energy	-467.591866
Nuclear repulsion energy	13.152360

Atom	x (Å)	y (Å)	z (Å)
Li1	0.000	0.000	-1.744
Cl2	0.000	0.000	0.308

	Li1	Cl2
Li1		2.0520
Cl2	2.0520

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

using model chemistry: B2PLYP=FULLultrafine/TZVP

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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