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	hartrees
Energy at 0K	-157.541687
Energy at 298.15K
HF Energy	-157.122753
Nuclear repulsion energy	38.810651

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	1054	1030
2	A₁	724	708
3	B₂	515	504

Atom	y (Å)	z (Å)
Li1	0.000	1.400
O2	0.686	-0.262
O3	-0.686	-0.262

	Li1	O2	O3
Li1		1.7985	1.7985
O2	1.7985		1.3727
O3	1.7985	1.3727

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Li1	O2	O3	67.566		Li1	O3	O2	67.566
O2	Li1	O3	44.869

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

using model chemistry: QCISD(T)/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(T)/aug-cc-pVDZ

States and conformations

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