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	hartrees
Energy at 0K
Energy at 298.15K	-0.219608
HF Energy	-0.219608
Nuclear repulsion energy	36.597165

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A₁	1382	1346	7.03	10.07	0.44	0.61
2	A₁	782	761	142.19	14.07	0.37	0.54
3	B₂	525	511	3.49	8.62	0.75	0.86

Atom	y (Å)	z (Å)
Li1	0.000	1.426
O2	0.643	-0.267
O3	-0.643	-0.267

	Li1	O2	O3
Li1		1.8118	1.8118
O2	1.8118		1.2855
O3	1.8118	1.2855

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Li1	O2	O3	69.221		Li1	O3	O2	69.221
O2	Li1	O3	41.557

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

using model chemistry: PM3

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

using model chemistry: PM3

States and conformations

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