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	hartrees
Energy at 0K	-157.782681
Energy at 298.15K
HF Energy	-157.170862
Nuclear repulsion energy	39.682563

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	1133	1094
2	A₁	764	737
3	B₂	544	525

Atom	y (Å)	z (Å)
Li1	0.000	1.355
O2	0.675	-0.254
O3	-0.675	-0.254

	Li1	O2	O3
Li1		1.7443	1.7443
O2	1.7443		1.3490
O3	1.7443	1.3490

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Li1	O2	O3	67.250		Li1	O3	O2	67.250
O2	Li1	O3	45.499

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

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

States and conformations

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