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	hartrees
Energy at 0K	-157.695499
Energy at 298.15K
HF Energy	-157.162972
Nuclear repulsion energy	39.978331

Atom	y (Å)	z (Å)
Li1	0.000	1.352
O2	0.667	-0.254
O3	-0.667	-0.254

	Li1	O2	O3
Li1		1.7389	1.7389
O2	1.7389		1.3349
O3	1.7389	1.3349

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Li1	O2	O3	67.430		Li1	O3	O2	67.430
O2	Li1	O3	45.140

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

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

States and conformations

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