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	hartrees
Energy at 0K	-157.554269
Energy at 298.15K
HF Energy	-157.108936
Nuclear repulsion energy	39.112508

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	1089	1029	6.34	1532963.00	0.33	0.50
2	A₁	765	723	112.74	5996.22	0.32	0.48
3	B₂	977	923	3745.47	40.58	0.75	0.86

Atom	y (Å)	z (Å)
Li1	0.000	1.391
O2	0.680	-0.261
O3	-0.680	-0.261

	Li1	O2	O3
Li1		1.7864	1.7864
O2	1.7864		1.3605
O3	1.7864	1.3605

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Li1	O2	O3	67.619		Li1	O3	O2	67.619
O2	Li1	O3	44.763

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

using model chemistry: MP2/6-31G(2df,p)

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: MP2/6-31G(2df,p)

States and conformations

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