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	hartrees
Energy at 0K	-156.506417
Energy at 298.15K
HF Energy	-156.244394
Nuclear repulsion energy	37.479758

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1067	1025	0.08
2	A₁	813	781	72.58
3	B₂	560	538	4.83

Atom	y (Å)	z (Å)
Li1	0.000	1.359
O2	0.732	-0.255
O3	-0.732	-0.255

	Li1	O2	O3
Li1		1.7723	1.7723
O2	1.7723		1.4631
O3	1.7723	1.4631

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Li1	O2	O3	65.622		Li1	O3	O2	65.622
O2	Li1	O3	48.755

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

using model chemistry: QCISD/3-21G*

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/3-21G*

States and conformations

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