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	hartrees
Energy at 0K	-157.523922
Energy at 298.15K
HF Energy	-157.123328
Nuclear repulsion energy	38.763592

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	1028	1028	7.12	0.00	0.33	0.50
2	A₁	733	733	126.26	164834.40	0.33	0.50
3	B₂	1355	1355	24570.69	924.74	0.75	0.86

Atom	y (Å)	z (Å)
Li1	0.000	1.395
O2	0.688	-0.262
O3	-0.688	-0.262

	Li1	O2	O3
Li1		1.7938	1.7938
O2	1.7938		1.3765
O3	1.7938	1.3765

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Li1	O2	O3	67.438		Li1	O3	O2	67.438
O2	Li1	O3	45.124

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

using model chemistry: MP2/daug-cc-pVDZ

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/daug-cc-pVDZ

States and conformations

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