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	hartrees
Energy at 0K	-157.631660
Energy at 298.15K
HF Energy	-157.156632
Nuclear repulsion energy	39.193279

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	1089	1034	7.24	2668577.00	0.33	0.50
2	A₁	744	706	122.75	5587.50	0.32	0.48
3	B₂	1007	956	5153.53	97.36	0.75	0.86

Atom	y (Å)	z (Å)
Li1	0.000	1.380
O2	0.681	-0.259
O3	-0.681	-0.259

	Li1	O2	O3
Li1		1.7742	1.7742
O2	1.7742		1.3614
O3	1.7742	1.3614

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Li1	O2	O3	67.439		Li1	O3	O2	67.439
O2	Li1	O3	45.122

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

using model chemistry: MP2/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/cc-pVTZ

States and conformations

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