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	hartrees
Energy at 0K	-157.306561
Energy at 298.15K
HF Energy	-157.037755
Nuclear repulsion energy	37.034427

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	934	900	3.28
2	A₁	721	695	89.06
3	B₂	473	455	7.41

Atom	y (Å)	z (Å)
Li1	0.000	1.421
O2	0.729	-0.266
O3	-0.729	-0.266

	Li1	O2	O3
Li1		1.8385	1.8385
O2	1.8385		1.4586
O3	1.8385	1.4586

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Li1	O2	O3	66.628		Li1	O3	O2	66.628
O2	Li1	O3	46.743

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

using model chemistry: QCISD/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: QCISD/6-31G

States and conformations

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