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	hartrees
Energy at 0K	-157.637790
Energy at 298.15K
HF Energy	-157.162604
Nuclear repulsion energy	39.831533

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1229	1176	4.51
2	A₁	751	719	136.38
3	B₂	631	604	249.17

Atom	y (Å)	z (Å)
Li1	0.000	1.375
O2	0.666	-0.258
O3	-0.666	-0.258

	Li1	O2	O3
Li1		1.7638	1.7638
O2	1.7638		1.3318
O3	1.7638	1.3318

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Li1	O2	O3	67.819		Li1	O3	O2	67.819
O2	Li1	O3	44.361

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

using model chemistry: CCD/aug-cc-pVTZ

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: CCD/aug-cc-pVTZ

States and conformations

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