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	hartrees
Energy at 0K	-16.152486
Energy at 298.15K	-16.152298
HF Energy	-16.152486
Nuclear repulsion energy	1.883861

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.241
Li2	0.000	0.000	-1.445

	O1	Li2
O1		1.6854
Li2	1.6854

Number	Element	Mulliken	CHELPG	AIM	ESP
1	O	-0.704
2	Li	0.704

	x	y	z	Total
	0.000	0.000	-6.649	6.649
CHELPG
AIM
ESP

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

using model chemistry: B3LYP/CEP-121G

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>	5.505
(<r²>)^1/2	2.346