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	hartrees
Energy at 0K	-82.684307
Energy at 298.15K	-82.684138
HF Energy	-82.684307
Nuclear repulsion energy	7.534294

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.460
Li2	0.000	0.000	-1.226

	O1	Li2
O1		1.6857
Li2	1.6857

Number	Element	Mulliken	CHELPG	AIM	ESP
1	O	-0.398
2	Li	0.398

	x	y	z	Total
	0.000	0.000	-6.364	6.364
CHELPG
AIM
ESP

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

using model chemistry: mPW1PW91/cc-pVTZ

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>	9.928
(<r²>)^1/2	3.151