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	hartrees
Energy at 0K	-157.549342
Energy at 298.15K
HF Energy	-157.148383
Nuclear repulsion energy	39.213794

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1147	1096	4.94
2	A₁	723	691	138.76
3	B₂	454	434	1.04

Atom	y (Å)	z (Å)
Li1	0.000	1.402
O2	0.675	-0.263
O3	-0.675	-0.263

	Li1	O2	O3
Li1		1.7963	1.7963
O2	1.7963		1.3507
O3	1.7963	1.3507

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Li1	O2	O3	67.916		Li1	O3	O2	67.916
O2	Li1	O3	44.169

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

using model chemistry: QCISD/TZVP

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/TZVP

States and conformations

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