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	hartrees
Energy at 0K	-82.669278
Energy at 298.15K	-82.669131
HF Energy	-82.669278
Nuclear repulsion energy	7.931672

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.437
Li2	0.000	0.000	-1.165

	O1	Li2
O1		1.6012
Li2	1.6012

Number	Element	Mulliken	CHELPG	AIM	ESP
1	O	-0.508
2	Li	0.508

	x	y	z	Total
	0.000	0.000	-5.258	5.258
CHELPG	0.000	0.000	-5.533	5.533
AIM
ESP	0.000	0.000	-5.390	5.390

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

using model chemistry: B3LYP/6-31G*

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>	9.614
(<r²>)^1/2	3.101