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	hartrees
Energy at 0K	-157.688528
Energy at 298.15K
HF Energy	-157.160465
Nuclear repulsion energy	39.476759

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	1092	1039	6.98	1031367.00	0.33	0.50
2	A₁	758	722	125.69	3078.10	0.30	0.47
3	B₂	909	865	2817.36	0.66	0.75	0.86

Atom	y (Å)	z (Å)
Li1	0.000	1.362
O2	0.678	-0.255
O3	-0.678	-0.255

	Li1	O2	O3
Li1		1.7533	1.7533
O2	1.7533		1.3553
O3	1.7533	1.3553

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Li1	O2	O3	67.264		Li1	O3	O2	67.264
O2	Li1	O3	45.472

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

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

States and conformations

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