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	hartrees
Energy at 0K	-82.680555
Energy at 298.15K
HF Energy	-82.680555
Nuclear repulsion energy	7.659314

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.452
Li2	0.000	0.000	-1.206

	O1	Li2
O1		1.6581
Li2	1.6581

Number	Element	Mulliken	CHELPG	AIM	ESP
1	O	-0.483
2	Li	0.483

	x	y	z	Total
	0.000	0.000	-6.254	6.254
CHELPG
AIM
ESP

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

using model chemistry: B1B95/aug-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>	9.482
(<r²>)^1/2	3.079