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	hartrees
Energy at 0K	-157.533458
Energy at 298.15K
HF Energy	-157.103362
Nuclear repulsion energy	38.112296

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	906	906
2	A₁	718	718
3	B₂	740	740

Atom	y (Å)	z (Å)
Li1	0.000	1.400
O2	0.704	-0.262
O3	-0.704	-0.262

	Li1	O2	O3
Li1		1.8053	1.8053
O2	1.8053		1.4078
O3	1.8053	1.4078

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Li1	O2	O3	67.051		Li1	O3	O2	67.051
O2	Li1	O3	45.898

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

using model chemistry: ROMP2/aug-cc-pVDZ

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	0.674
2	O	-0.337
3	O	-0.337

<r²>	21.626
(<r²>)^1/2	4.650

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

using model chemistry: ROMP2/aug-cc-pVDZ

States and conformations

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