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	hartrees
Energy at 0K	-157.528340
Energy at 298.15K
HF Energy	-157.124663
Nuclear repulsion energy	39.118645

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1121	1086	4.96
2	A₁	729	706	126.98
3	B₂	464	449	0.14

Atom	y (Å)	z (Å)
Li1	0.000	1.399
O2	0.678	-0.262
O3	-0.678	-0.262

	Li1	O2	O3
Li1		1.7948	1.7948
O2	1.7948		1.3565
O3	1.7948	1.3565

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Li1	O2	O3	67.796		Li1	O3	O2	67.796
O2	Li1	O3	44.409

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

using model chemistry: QCISD/aug-cc-pVDZ

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/aug-cc-pVDZ

States and conformations

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