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	hartrees
Energy at 0K	-157.654061
Energy at 298.15K
HF Energy	-157.162875
Nuclear repulsion energy	39.345611

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	1119	1119
2	A₁	752	752
3	B₂	550	550

Atom	y (Å)	z (Å)
Li1	0.000	1.372
O2	0.678	-0.257
O3	-0.678	-0.257

	Li1	O2	O3
Li1		1.7646	1.7646
O2	1.7646		1.3565
O3	1.7646	1.3565

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Li1	O2	O3	67.395		Li1	O3	O2	67.395
O2	Li1	O3	45.210

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

using model chemistry: CCSD(T)/Def2TZVPP

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)/Def2TZVPP

States and conformations

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