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	hartrees
Energy at 0K	-157.141606
Energy at 298.15K
HF Energy	-157.141606
Nuclear repulsion energy	40.787789

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	1426	1296	2.08	439.21	0.31	0.47
2	A₁	788	716	149.66	2.82	0.22	0.36
3	B₂	507	460	2.19	3.05	0.75	0.86

Atom	y (Å)	z (Å)
Li1	0.000	1.369
O2	0.645	-0.257
O3	-0.645	-0.257

	Li1	O2	O3
Li1		1.7490	1.7490
O2	1.7490		1.2894
O3	1.7490	1.2894

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Li1	O2	O3	68.369		Li1	O3	O2	68.369
O2	Li1	O3	43.261

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

using model chemistry: HF/6-311G**

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	0.653
2	O	-0.327
3	O	-0.327

	x	y	z	Total
	0.000	0.000	6.028	6.028
CHELPG
AIM
ESP

<r²>	20.026
(<r²>)^1/2	4.475

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

using model chemistry: HF/6-311G**

States and conformations

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