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	hartrees
Energy at 0K	-82.215716
Energy at 298.15K	-82.215544
HF Energy	-82.215716
Nuclear repulsion energy	7.500575

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.462
Li2	0.000	0.000	-1.231

	O1	Li2
O1		1.6932
Li2	1.6932

Number	Element	Mulliken	CHELPG	AIM	ESP
1	O	-0.534
2	Li	0.534

	x	y	z	Total
	0.000	0.000	-6.400	6.400
CHELPG
AIM
ESP

All results from a given calculation for LiO (lithium oxide)

using model chemistry: LSDA/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>	10.244
(<r²>)^1/2	3.201