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	hartrees
Energy at 0K	-156.517817
Energy at 298.15K
HF Energy	-156.224824
Nuclear repulsion energy	36.572001

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	886	886
2	A₁	775	775
3	B₂	686	686

Atom	y (Å)	z (Å)
Li1	0.000	1.354
O2	0.760	-0.254
O3	-0.760	-0.254

	Li1	O2	O3
Li1		1.7783	1.7783
O2	1.7783		1.5204
O3	1.7783	1.5204

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Li1	O2	O3	64.692		Li1	O3	O2	64.692
O2	Li1	O3	50.616

All results from a given calculation for LiO₂ (Lithium dioxide)

using model chemistry: ROMP2/3-21G*

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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Number	Element	Mulliken
1	Li	0.611
2	O	-0.305
3	O	-0.305

<r²>	22.614
(<r²>)^1/2	4.755

All results from a given calculation for LiO2 (Lithium dioxide)

using model chemistry: ROMP2/3-21G*

States and conformations

All results from a given calculation for LiO₂ (Lithium dioxide)