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	hartrees
Energy at 0K	-157.692423
Energy at 298.15K
HF Energy	-157.160913
Nuclear repulsion energy	39.495637

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	1091	1091	7.07	1032754.00	0.33	0.50
2	A₁	762	762	125.22	3348.03	0.30	0.47
3	B₂	908	908	2838.79	0.57	0.75	0.86

Atom	y (Å)	z (Å)
Li1	0.000	1.360
O2	0.678	-0.255
O3	-0.678	-0.255

	Li1	O2	O3
Li1		1.7510	1.7510
O2	1.7510		1.3553
O3	1.7510	1.3553

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Li1	O2	O3	67.232		Li1	O3	O2	67.232
O2	Li1	O3	45.536

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

using model chemistry: MP2=FULL/daug-cc-pVTZ

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: MP2=FULL/daug-cc-pVTZ

States and conformations

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