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	hartrees
Energy at 0K	-157.643430
Energy at 298.15K
HF Energy	-157.138840
Nuclear repulsion energy	38.670284

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	980	980
2	A₁	740	740
3	B₂	889	889

Atom	y (Å)	z (Å)
Li1	0.000	1.378
O2	0.694	-0.258
O3	-0.694	-0.258

	Li1	O2	O3
Li1		1.7776	1.7776
O2	1.7776		1.3883
O3	1.7776	1.3883

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Li1	O2	O3	67.016		Li1	O3	O2	67.016
O2	Li1	O3	45.969

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

using model chemistry: ROMP2/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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Number	Element	Mulliken
1	Li	0.500
2	O	-0.250
3	O	-0.250

<r²>	21.171
(<r²>)^1/2	4.601

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

using model chemistry: ROMP2/cc-pVTZ

States and conformations

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