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	hartrees
Energy at 0K	-157.701717
Energy at 298.15K
HF Energy	-157.162849
Nuclear repulsion energy	39.373290

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	1095	1095	7.34	2291904.00	0.33	0.50
2	A₁	753	753	129.77	5322.72	0.32	0.48
3	B₂	991	991	4729.21	50.26	0.75	0.86

Atom	y (Å)	z (Å)
Li1	0.000	1.367
O2	0.679	-0.256
O3	-0.679	-0.256

	Li1	O2	O3
Li1		1.7594	1.7594
O2	1.7594		1.3581
O3	1.7594	1.3581

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Li1	O2	O3	67.297		Li1	O3	O2	67.297
O2	Li1	O3	45.407

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

using model chemistry: MP2=FULL/Def2TZVPP

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=FULL/Def2TZVPP

States and conformations

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