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	hartrees
Energy at 0K	-157.539156
Energy at 298.15K
HF Energy	-157.138593
Nuclear repulsion energy	39.538190

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1167	1113	4.57
2	A₁	759	724	116.95
3	B₂	484	462	0.33

Atom	y (Å)	z (Å)
Li1	0.000	1.380
O2	0.672	-0.259
O3	-0.672	-0.259

	Li1	O2	O3
Li1		1.7711	1.7711
O2	1.7711		1.3441
O3	1.7711	1.3441

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Li1	O2	O3	67.701		Li1	O3	O2	67.701
O2	Li1	O3	44.599

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

using model chemistry: QCISD/6-311G**

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: QCISD/6-311G**

States and conformations

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