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	hartrees
Energy at 0K	-155.131416
Energy at 298.15K
HF Energy	-154.990176
Nuclear repulsion energy	39.108812

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	1138	1138
2	A₁	941	941
3	B₂	1084	1084

Atom	y (Å)	z (Å)
Li1	0.000	1.285
O2	0.705	-0.241
O3	-0.705	-0.241

	Li1	O2	O3
Li1		1.6814	1.6814
O2	1.6814		1.4102
O3	1.6814	1.4102

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Li1	O2	O3	65.207		Li1	O3	O2	65.207
O2	Li1	O3	49.587

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

using model chemistry: ROMP2/STO-3G

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	0.264
2	O	-0.132
3	O	-0.132

<r²>	20.762
(<r²>)^1/2	4.556

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

using model chemistry: ROMP2/STO-3G

States and conformations

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