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	hartrees
Energy at 0K	-82.703125
Energy at 298.15K	-82.702948
HF Energy	-82.703125
Nuclear repulsion energy	7.438570

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.466
Li2	0.000	0.000	-1.242

	O1	Li2
O1		1.7074
Li2	1.7074

Number	Element	Mulliken	CHELPG	AIM	ESP
1	O	-0.543
2	Li	0.543

	x	y	z	Total
	0.000	0.000	-6.584	6.584
CHELPG
AIM
ESP

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

using model chemistry: B3LYPultrafine/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>	10.233
(<r²>)^1/2	3.199