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	hartrees
Energy at 0K	-157.543727
Energy at 298.15K
HF Energy	-157.124034
Nuclear repulsion energy	38.870626

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	1064	1064
2	A₁	734	734
3	B₂	536	536

Atom	y (Å)	z (Å)
Li1	0.000	1.394
O2	0.685	-0.261
O3	-0.685	-0.261

	Li1	O2	O3
Li1		1.7916	1.7916
O2	1.7916		1.3707
O3	1.7916	1.3707

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Li1	O2	O3	67.509		Li1	O3	O2	67.509
O2	Li1	O3	44.982

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

using model chemistry: CCSD(T)/daug-cc-pVDZ

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)/daug-cc-pVDZ

States and conformations

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