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	hartrees
Energy at 0K	-2406.562828
Energy at 298.15K
HF Energy	-2406.562828
Nuclear repulsion energy	23.955879

Atom	x (Å)	y (Å)	z (Å)
Li1	0.000	0.000	-2.070
Se2	0.000	0.000	0.183

	Li1	Se2
Li1		2.2531
Se2	2.2531

Number	Element	Mulliken	CHELPG	AIM	ESP
1	Li	0.295
2	Se	-0.295

	x	y	z	Total
	0.000	0.000	-6.601	6.601
CHELPG
AIM
ESP

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

using model chemistry: PBE1PBE/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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<r²>	24.796
(<r²>)^1/2	4.980