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	hartrees
Energy at 0K	-156.486491
Energy at 298.15K
HF Energy	-156.246771
Nuclear repulsion energy	37.881577

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1135	1068	1.01
2	A₁	833	784	86.83
3	B₂	736	693	273.45

Atom	y (Å)	z (Å)
Li1	0.000	1.355
O2	0.721	-0.254
O3	-0.721	-0.254

	Li1	O2	O3
Li1		1.7632	1.7632
O2	1.7632		1.4427
O3	1.7632	1.4427

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Li1	O2	O3	65.851		Li1	O3	O2	65.851
O2	Li1	O3	48.297

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

using model chemistry: CISD/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: CISD/3-21G

States and conformations

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