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	hartrees
Energy at 0K	-157.467163
Energy at 298.15K
HF Energy	-157.092059
Nuclear repulsion energy	38.622829

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	1055	994	6.44	270955.50	0.33	0.50
2	A₁	756	713	108.73	0.00	0.33	0.50
3	B₂	2330	2196	193954.80	0.00	0.75	0.86

Atom	y (Å)	z (Å)
Li1	0.000	1.397
O2	0.692	-0.262
O3	-0.692	-0.262

	Li1	O2	O3
Li1		1.7968	1.7968
O2	1.7968		1.3831
O3	1.7968	1.3831

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Li1	O2	O3	67.364		Li1	O3	O2	67.364
O2	Li1	O3	45.272

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

using model chemistry: MP2=FULL/6-31G*

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: MP2=FULL/6-31G*

States and conformations

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