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	hartrees
Energy at 0K	-2382.281821
Energy at 298.15K
HF Energy	-2382.281821
Nuclear repulsion energy	24.755672

Atom	x (Å)	y (Å)	z (Å)
Li1	0.000	0.000	-2.004
Se2	0.000	0.000	0.177

	Li1	Se2
Li1		2.1804
Se2	2.1804

Number	Element	Mulliken	CHELPG	AIM	ESP
1	Li	-0.028
2	Se	0.028

	x	y	z	Total
	0.000	0.000	-3.284	3.284
CHELPG
AIM
ESP

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

using model chemistry: TPSSh/STO-3G

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>	24.115
(<r²>)^1/2	4.911