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	hartrees
Energy at 0K	-157.507717
Energy at 298.15K
HF Energy	-157.140251
Nuclear repulsion energy	39.965639

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1255	1161	4.96
2	A₁	773	716	132.22
3	B₂	584	541	81.41

Atom	y (Å)	z (Å)
Li1	0.000	1.375
O2	0.663	-0.258
O3	-0.663	-0.258

	Li1	O2	O3
Li1		1.7618	1.7618
O2	1.7618		1.3256
O3	1.7618	1.3256

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Li1	O2	O3	67.902		Li1	O3	O2	67.902
O2	Li1	O3	44.196

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

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

States and conformations

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