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	hartrees
Energy at 0K	-157.791276
Energy at 298.15K
HF Energy	-157.171369
Nuclear repulsion energy	39.694889

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	1134	1086
2	A₁	765	733
3	B₂	549	526

Atom	y (Å)	z (Å)
Li1	0.000	1.351
O2	0.674	-0.253
O3	-0.674	-0.253

	Li1	O2	O3
Li1		1.7400	1.7400
O2	1.7400		1.3486
O3	1.7400	1.3486

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Li1	O2	O3	67.199		Li1	O3	O2	67.199
O2	Li1	O3	45.601

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

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

States and conformations

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