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	hartrees
Energy at 0K	-312.034021
Energy at 298.15K
HF Energy	-311.549903
Nuclear repulsion energy	67.340317

Atom	y (Å)	z (Å)
Na1	0.000	1.243
O2	0.676	-0.854
O3	-0.676	-0.854

	Na1	O2	O3
Na1		2.2029	2.2029
O2	2.2029		1.3513
O3	2.2029	1.3513

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Na1	O2	O3	72.139		Na1	O3	O2	72.139
O2	Na1	O3	35.722

All results from a given calculation for NaO₂ (Sodium superoxide)

using model chemistry: CCSD/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 NaO2 (Sodium superoxide)

using model chemistry: CCSD/daug-cc-pVTZ

States and conformations

All results from a given calculation for NaO₂ (Sodium superoxide)