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	hartrees
Energy at 0K	-405.530730
Energy at 298.15K	-405.530659
HF Energy	-405.492362
Nuclear repulsion energy	11.660362

Atom	x (Å)	y (Å)	z (Å)
Li1	0.000	0.000	-1.834
S2	0.000	0.000	0.344

	Li1	S2
Li1		2.1784
S2	2.1784

All results from a given calculation for LiS (Lithium monosulfide)

using model chemistry: B2PLYP=FULL/6-31G*

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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