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	hartrees
Energy at 0K	-157.471781
Energy at 298.15K
HF Energy	-157.075375
Nuclear repulsion energy	38.124951

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	958	958
2	A₁	754	754
3	B₂	838	838

Atom	y (Å)	z (Å)
Li1	0.000	1.397
O2	0.704	-0.262
O3	-0.704	-0.262

	Li1	O2	O3
Li1		1.8027	1.8027
O2	1.8027		1.4083
O3	1.8027	1.4083

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Li1	O2	O3	67.007		Li1	O3	O2	67.007
O2	Li1	O3	45.985

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

using model chemistry: ROMP2/6-31G*

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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Number	Element	Mulliken
1	Li	0.717
2	O	-0.358
3	O	-0.358

<r²>	21.564
(<r²>)^1/2	4.644

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

using model chemistry: ROMP2/6-31G*

States and conformations

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