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	hartrees
Energy at 0K	-405.727503
Energy at 298.15K	-405.727408
HF Energy	-405.727503
Nuclear repulsion energy	11.503727

Atom	x (Å)	y (Å)	z (Å)
Li1	0.000	0.000	-1.859
S2	0.000	0.000	0.349

	Li1	S2
Li1		2.2080
S2	2.2080

Number	Element	Mulliken	CHELPG	AIM	ESP
1	Li	0.536
2	S	-0.536

	x	y	z	Total
	0.000	0.000	-7.211	7.211
CHELPG
AIM
ESP

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

using model chemistry: B97D3/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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<r²>	20.102
(<r²>)^1/2	4.484