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	hartrees
Energy at 0K	-157.670260
Energy at 298.15K
HF Energy	-157.157376
Nuclear repulsion energy	39.398964

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	1096	1041	7.64	1264136.00	0.33	0.50
2	A₁	755	717	121.61	3027.18	0.31	0.47
3	B₂	937	889	3258.90	30.66	0.75	0.86

Atom	y (Å)	z (Å)
Li1	0.000	1.367
O2	0.678	-0.256
O3	-0.678	-0.256

	Li1	O2	O3
Li1		1.7593	1.7593
O2	1.7593		1.3568
O3	1.7593	1.3568

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Li1	O2	O3	67.318		Li1	O3	O2	67.318
O2	Li1	O3	45.364

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

using model chemistry: MP2=FULL/cc-pVTZ

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/cc-pVTZ

States and conformations

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