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	hartrees
Energy at 0K	-157.467885
Energy at 298.15K
HF Energy	-157.101136
Nuclear repulsion energy	39.236633

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1193	1124	4.98
2	A₁	733	690	142.51
3	B₂	725	683	954.29

Atom	y (Å)	z (Å)
Li1	0.000	1.394
O2	0.676	-0.261
O3	-0.676	-0.261

	Li1	O2	O3
Li1		1.7883	1.7883
O2	1.7883		1.3529
O3	1.7883	1.3529

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Li1	O2	O3	67.774		Li1	O3	O2	67.774
O2	Li1	O3	44.453

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

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

States and conformations

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