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	hartrees
Energy at 0K	-156.507440
Energy at 298.15K
HF Energy	-156.240757
Nuclear repulsion energy	37.026480

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	976	931	8.38	5836.05	0.31	0.48
2	A₁	799	762	71.91	632.31	0.29	0.45
3	B₂	828	790	762.19	199.41	0.75	0.86

Atom	y (Å)	z (Å)
Li1	0.000	1.362
O2	0.744	-0.255
O3	-0.744	-0.255

	Li1	O2	O3
Li1		1.7799	1.7799
O2	1.7799		1.4883
O3	1.7799	1.4883

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Li1	O2	O3	65.286		Li1	O3	O2	65.286
O2	Li1	O3	49.428

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

using model chemistry: MP2/3-21G

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

using model chemistry: MP2/3-21G

States and conformations

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