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	hartrees
Energy at 0K	-157.143299
Energy at 298.15K
HF Energy	-157.143299
Nuclear repulsion energy	40.059596

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	1185	1174	13.41	5.63	0.54	0.70
2	A₁	767	759	97.93	25.00	0.09	0.16
3	B₂	552	547	36.01	3.00	0.75	0.86

Atom	y (Å)	z (Å)
Li1	0.000	1.349
O2	0.666	-0.253
O3	-0.666	-0.253

	Li1	O2	O3
Li1		1.7352	1.7352
O2	1.7352		1.3323
O3	1.7352	1.3323

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Li1	O2	O3	67.425		Li1	O3	O2	67.425
O2	Li1	O3	45.150

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

using model chemistry: SVWN/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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Number	Element	Mulliken
1	Li	0.290
2	O	-0.145
3	O	-0.145

	x	y	z	Total
	0.000	0.000	5.288	5.288
CHELPG
AIM
ESP

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

using model chemistry: SVWN/cc-pVTZ

States and conformations

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