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	hartrees
Energy at 0K	-82.596040
Energy at 298.15K	-82.595878
HF Energy	-82.546017
Nuclear repulsion energy	7.460706

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.464
Li2	0.000	0.000	-1.238

	O1	Li2
O1		1.7023
Li2	1.7023

Number	Element	Mulliken	CHELPG	AIM	ESP
1	O	-0.606
2	Li	0.606

	x	y	z
x	2.391	0.000	0.000
y	0.000	1.253	0.000
z	0.000	0.000	2.181

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

using model chemistry: B2PLYP/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>	10.028
(<r²>)^1/2	3.167