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	hartrees
Energy at 0K	-405.727421
Energy at 298.15K	-405.727353
HF Energy	-405.727421
Nuclear repulsion energy	11.785929

Atom	x (Å)	y (Å)	z (Å)
Li1	0.000	0.000	-1.815
S2	0.000	0.000	0.340

	Li1	S2
Li1		2.1552
S2	2.1552

Number	Element	Mulliken	CHELPG	AIM	ESP
1	Li	0.523
2	S	-0.523

	x	y	z	Total
	0.000	0.000	-7.272	7.272
CHELPG
AIM
ESP

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

using model chemistry: mPW1PW91/6-311G**

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>	19.867
(<r²>)^1/2	4.457