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	hartrees
Energy at 0K	-157.758217
Energy at 298.15K
HF Energy	-157.631672
Nuclear repulsion energy	39.048634

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	1103	1103	5.33	1.95	0.58	0.74
2	A₁	771	771	100.48	9.38	0.20	0.33
3	B₂	557	557	28.13	0.00	0.75	0.86

Atom	y (Å)	z (Å)
Li1	0.000	1.383
O2	0.684	-0.259
O3	-0.684	-0.259

	Li1	O2	O3
Li1		1.7788	1.7788
O2	1.7788		1.3673
O3	1.7788	1.3673

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Li1	O2	O3	67.397		Li1	O3	O2	67.397
O2	Li1	O3	45.205

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

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

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/6-31G**

States and conformations

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