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	hartrees
Energy at 0K	-157.521529
Energy at 298.15K
HF Energy	-157.122037
Nuclear repulsion energy	38.706850

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	1026	984	7.40	0.00	0.33	0.50
2	A₁	726	696	128.96	194873.60	0.33	0.50
3	B₂	1383	1326	27424.71	1934.01	0.75	0.86

Atom	y (Å)	z (Å)
Li1	0.000	1.400
O2	0.689	-0.263
O3	-0.689	-0.263

	Li1	O2	O3
Li1		1.7999	1.7999
O2	1.7999		1.3770
O3	1.7999	1.3770

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Li1	O2	O3	67.510		Li1	O3	O2	67.510
O2	Li1	O3	44.980

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

using model chemistry: MP2/aug-cc-pVDZ

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/aug-cc-pVDZ

States and conformations

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