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	hartrees
Energy at 0K	-157.825724
Energy at 298.15K
HF Energy	-157.676800
Nuclear repulsion energy	39.355223

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A₁	1100	1100	7.00	1.36	0.72	0.84
2	A₁	762	762	111.84	10.24	0.20	0.34
3	B₂	536	536	30.58	0.03	0.75	0.86

Atom	y (Å)	z (Å)
Li1	0.000	1.370
O2	0.679	-0.257
O3	-0.679	-0.257

	Li1	O2	O3
Li1		1.7629	1.7629
O2	1.7629		1.3576
O3	1.7629	1.3576

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Li1	O2	O3	67.354		Li1	O3	O2	67.354
O2	Li1	O3	45.292

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

using model chemistry: B2PLYP=FULL/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: B2PLYP=FULL/6-311G**

States and conformations

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