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	hartrees
Energy at 0K	-157.497943
Energy at 298.15K
HF Energy	-157.108085
Nuclear repulsion energy	38.796665

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	1073	1022
2	A₁	748	713
3	B₂	526	502

Atom	y (Å)	z (Å)
Li1	0.000	1.417
O2	0.683	-0.266
O3	-0.683	-0.266

	Li1	O2	O3
Li1		1.8159	1.8159
O2	1.8159		1.3660
O3	1.8159	1.3660

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Li1	O2	O3	67.906		Li1	O3	O2	67.906
O2	Li1	O3	44.187

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

using model chemistry: QCISD(T)/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: QCISD(T)/cc-pVDZ

States and conformations

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