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	hartrees
Energy at 0K	-2408.689688
Energy at 298.15K
HF Energy	-2408.689688
Nuclear repulsion energy	23.397928

Atom	x (Å)	y (Å)	z (Å)
Li1	0.000	0.000	-2.120
Se2	0.000	0.000	0.187

	Li1	Se2
Li1		2.3069
Se2	2.3069

Number	Element	Mulliken	CHELPG	AIM	ESP
1	Li	0.513
2	Se	-0.513

	x	y	z	Total
	0.000	0.000	-6.947	6.947
CHELPG
AIM
ESP

All results from a given calculation for LiSe (Lithium monoselenide)

using model chemistry: PBEPBE/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>	25.399
(<r²>)^1/2	5.040