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	hartrees
Energy at 0K	-157.476961
Energy at 298.15K
HF Energy	-157.099734
Nuclear repulsion energy	38.958745

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1132	1070	4.87
2	A₁	720	680	131.56
3	B₂	409	386	13.43

Atom	y (Å)	z (Å)
Li1	0.000	1.398
O2	0.683	-0.262
O3	-0.683	-0.262

	Li1	O2	O3
Li1		1.7951	1.7951
O2	1.7951		1.3652
O3	1.7951	1.3652

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Li1	O2	O3	67.651		Li1	O3	O2	67.651
O2	Li1	O3	44.699

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

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

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/6-31+G**

States and conformations

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