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	hartrees
Energy at 0K	-2409.385953
Energy at 298.15K
HF Energy	-2409.385953
Nuclear repulsion energy	23.471758

Atom	x (Å)	y (Å)	z (Å)
Li1	0.000	0.000	-2.113
Se2	0.000	0.000	0.186

	Li1	Se2
Li1		2.2996
Se2	2.2996

Number	Element	Mulliken	CHELPG	AIM	ESP
1	Li	0.202
2	Se	-0.202

	x	y	z	Total
	0.000	0.000	-7.088	7.088
CHELPG
AIM
ESP

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

using model chemistry: B1B95/aug-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>	25.339
(<r²>)^1/2	5.034