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	hartrees
Energy at 0K	-157.632473
Energy at 298.15K
HF Energy	-157.158956
Nuclear repulsion energy	39.652444

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1191	1121	4.44
2	A₁	755	711	126.45
3	B₂	532	501	22.38

Atom	y (Å)	z (Å)
Li1	0.000	1.374
O2	0.671	-0.258
O3	-0.671	-0.258

	Li1	O2	O3
Li1		1.7640	1.7640
O2	1.7640		1.3411
O3	1.7640	1.3411

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Li1	O2	O3	67.657		Li1	O3	O2	67.657
O2	Li1	O3	44.686

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

using model chemistry: CCSD/cc-pVTZ

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/cc-pVTZ

States and conformations

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