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	hartrees
Energy at 0K	-157.677427
Energy at 298.15K	-157.673283
HF Energy	-157.098786
Nuclear repulsion energy	40.458637

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	1423	1341	1.32	448.91	0.31	0.47
2	A₁	796	750	136.64	2.35	0.26	0.41
3	B₂	529	498	1.63	2.64	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	68.447		Li1	O3	O2	68.447
O2	Li1	O3	43.106

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

using model chemistry: G2

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: G2

States and conformations

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