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	hartrees
Energy at 0K	-2408.744014
Energy at 298.15K
HF Energy	-2408.744014
Nuclear repulsion energy	23.723518

Atom	x (Å)	y (Å)	z (Å)
Li1	0.000	0.000	-2.091
Se2	0.000	0.000	0.184

	Li1	Se2
Li1		2.2752
Se2	2.2752

Number	Element	Mulliken	CHELPG	AIM	ESP
1	Li	0.323
2	Se	-0.323

	x	y	z	Total
	0.000	0.000	-7.011	7.011
CHELPG
AIM
ESP

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

using model chemistry: PBE1PBE/6-311+G(3df,2p)

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>	25.067
(<r²>)^1/2	5.007