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	hartrees
Energy at 0K	-157.645829
Energy at 298.15K
HF Energy	-157.159748
Nuclear repulsion energy	39.153044

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	1080	1080	6.25	3204615.00	0.33	0.50
2	A₁	733	733	127.83	7027.18	0.31	0.48
3	B₂	1010	1010	5606.27	15.53	0.75	0.86

Atom	y (Å)	z (Å)
Li1	0.000	1.383
O2	0.681	-0.259
O3	-0.681	-0.259

	Li1	O2	O3
Li1		1.7774	1.7774
O2	1.7774		1.3622
O3	1.7774	1.3622

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Li1	O2	O3	67.468		Li1	O3	O2	67.468
O2	Li1	O3	45.064

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

using model chemistry: MP2/daug-cc-pVTZ

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-pVTZ

States and conformations

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