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	hartrees
Energy at 0K	-157.530730
Energy at 298.15K
HF Energy	-157.139711
Nuclear repulsion energy	39.806529

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1227	1172	5.63
2	A₁	770	735	129.08
3	B₂	667	637	321.46

Atom	y (Å)	z (Å)
Li1	0.000	1.377
O2	0.666	-0.258
O3	-0.666	-0.258

	Li1	O2	O3
Li1		1.7654	1.7654
O2	1.7654		1.3324
O3	1.7654	1.3324

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Li1	O2	O3	67.829		Li1	O3	O2	67.829
O2	Li1	O3	44.342

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

using model chemistry: CCD/6-311G**

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: CCD/6-311G**

States and conformations

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