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	hartrees
Energy at 0K	-2408.992262
Energy at 298.15K
HF Energy	-2408.992262
Nuclear repulsion energy	23.432005

Atom	x (Å)	y (Å)	z (Å)
Li1	0.000	0.000	-2.117
Se2	0.000	0.000	0.187

	Li1	Se2
Li1		2.3035
Se2	2.3035

Number	Element	Mulliken	CHELPG	AIM	ESP
1	Li	-0.208
2	Se	0.208

	x	y	z	Total
	0.000	0.000	-7.027	7.027
CHELPG
AIM
ESP

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

using model chemistry: TPSSh/daug-cc-pVDZ

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>	25.434
(<r²>)^1/2	5.043