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	hartrees
Energy at 0K	-157.706184
Energy at 298.15K
HF Energy	-157.170922
Nuclear repulsion energy	39.430999

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	1127	1083
2	A₁	744	715
3	B₂	525	505

Atom	y (Å)	z (Å)
Li1	0.000	1.376
O2	0.676	-0.258
O3	-0.676	-0.258

	Li1	O2	O3
Li1		1.7687	1.7687
O2	1.7687		1.3517
O3	1.7687	1.3517

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Li1	O2	O3	67.535		Li1	O3	O2	67.535
O2	Li1	O3	44.929

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

using model chemistry: CCSD(T)/aug-cc-pVQZ

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)/aug-cc-pVQZ

States and conformations

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