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	hartrees
Energy at 0K	-157.607213
Energy at 298.15K
HF Energy	-157.163757
Nuclear repulsion energy	40.073842

Atom	y (Å)	z (Å)
Li1	0.000	1.370
O2	0.661	-0.257
O3	-0.661	-0.257

	Li1	O2	O3
Li1		1.7556	1.7556
O2	1.7556		1.3227
O3	1.7556	1.3227

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Li1	O2	O3	67.871		Li1	O3	O2	67.871
O2	Li1	O3	44.258

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

using model chemistry: CISD/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: CISD/daug-cc-pVTZ

States and conformations

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