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	hartrees
Energy at 0K	-157.552614
Energy at 298.15K
HF Energy	-157.136920
Nuclear repulsion energy	39.253138

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	1104	1063
2	A₁	757	729
3	B₂	534	514

Atom	y (Å)	z (Å)
Li1	0.000	1.379
O2	0.679	-0.258
O3	-0.679	-0.258

	Li1	O2	O3
Li1		1.7723	1.7723
O2	1.7723		1.3582
O3	1.7723	1.3582

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Li1	O2	O3	67.470		Li1	O3	O2	67.470
O2	Li1	O3	45.061

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

using model chemistry: QCISD(T)/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(T)/6-311G*

States and conformations

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