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	hartrees
Energy at 0K	-157.768115
Energy at 298.15K
HF Energy	-157.638465
Nuclear repulsion energy	39.091455

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	1085	1032	7.87	1.06	0.24	0.38
2	A₁	738	702	127.50	7.46	0.17	0.29
3	B₂	518	493	34.72	0.61	0.75	0.86

Atom	y (Å)	z (Å)
Li1	0.000	1.375
O2	0.684	-0.258
O3	-0.684	-0.258

	Li1	O2	O3
Li1		1.7700	1.7700
O2	1.7700		1.3689
O3	1.7700	1.3689

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Li1	O2	O3	67.251		Li1	O3	O2	67.251
O2	Li1	O3	45.497

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

using model chemistry: B2PLYP=FULL/6-31+G**

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: B2PLYP=FULL/6-31+G**

States and conformations

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