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	hartrees
Energy at 0K	-157.537447
Energy at 298.15K
HF Energy	-157.138874
Nuclear repulsion energy	39.599298

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1183	1183	4.55
2	A₁	761	761	121.53
3	B₂	526	526	17.20

Atom	y (Å)	z (Å)
Li1	0.000	1.379
O2	0.671	-0.259
O3	-0.671	-0.259

	Li1	O2	O3
Li1		1.7700	1.7700
O2	1.7700		1.3414
O3	1.7700	1.3414

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Li1	O2	O3	67.733		Li1	O3	O2	67.733
O2	Li1	O3	44.534

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

using model chemistry: CCSD/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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All results from a given calculation for LiO2 (Lithium dioxide)

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

States and conformations

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