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	hartrees
Energy at 0K	-157.547453
Energy at 298.15K
HF Energy	-157.148703
Nuclear repulsion energy	39.279656

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1163	1110	5.05
2	A₁	726	693	141.84
3	B₂	510	487	18.02

Atom	y (Å)	z (Å)
Li1	0.000	1.401
O2	0.674	-0.263
O3	-0.674	-0.263

	Li1	O2	O3
Li1		1.7949	1.7949
O2	1.7949		1.3478
O3	1.7949	1.3478

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Li1	O2	O3	67.949		Li1	O3	O2	67.949
O2	Li1	O3	44.102

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

using model chemistry: CCSD/TZVP

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: CCSD/TZVP

States and conformations

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