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	hartrees
Energy at 0K	-157.475039
Energy at 298.15K
HF Energy	-157.100031
Nuclear repulsion energy	39.019008

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1146	1071	4.50
2	A₁	725	677	136.83
3	B₂	499	466	19.81

Atom	y (Å)	z (Å)
Li1	0.000	1.396
O2	0.681	-0.262
O3	-0.681	-0.262

	Li1	O2	O3
Li1		1.7927	1.7927
O2	1.7927		1.3629
O3	1.7927	1.3629

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Li1	O2	O3	67.659		Li1	O3	O2	67.659
O2	Li1	O3	44.682

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

using model chemistry: CCSD/6-31+G**

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/6-31+G**

States and conformations

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