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	hartrees
Energy at 0K	-157.476162
Energy at 298.15K
HF Energy	-157.093075
Nuclear repulsion energy	38.749401

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	1097	1041
2	A₁	758	719
3	B₂	597	566

Atom	y (Å)	z (Å)
Li1	0.000	1.399
O2	0.688	-0.262
O3	-0.688	-0.262

	Li1	O2	O3
Li1		1.7978	1.7978
O2	1.7978		1.3764
O3	1.7978	1.3764

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Li1	O2	O3	67.493		Li1	O3	O2	67.493
O2	Li1	O3	45.014

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

using model chemistry: CCSD(T)/6-31G**

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: CCSD(T)/6-31G**

States and conformations

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