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	hartrees
Energy at 0K	-157.309079
Energy at 298.15K
HF Energy	-157.031392
Nuclear repulsion energy	36.317011

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A₁	824	789	25.12	114263.90	0.33	0.50
2	A₁	704	674	76.60	0.00	0.33	0.50
3	B₂	2596	2484	321095.60	0.00	0.75	0.86

Atom	y (Å)	z (Å)
Li1	0.000	1.418
O2	0.751	-0.266
O3	-0.751	-0.266

	Li1	O2	O3
Li1		1.8438	1.8438
O2	1.8438		1.5025
O3	1.8438	1.5025

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Li1	O2	O3	65.955		Li1	O3	O2	65.955
O2	Li1	O3	48.089

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

using model chemistry: MP2/6-31G

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: MP2/6-31G

States and conformations

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