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	hartrees
Energy at 0K	-311.877125
Energy at 298.15K
HF Energy	-311.498391
Nuclear repulsion energy	68.399343

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1155	1155	0.02
2	A₁	429	429	41.73
3	B₂	366	366	0.93

Atom	y (Å)	z (Å)
Na1	0.000	1.210
O2	0.675	-0.832
O3	-0.675	-0.832

	Na1	O2	O3
Na1		2.1500	2.1500
O2	2.1500		1.3504
O3	2.1500	1.3504

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Na1	O2	O3	71.697		Na1	O3	O2	71.697
O2	Na1	O3	36.607

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

using model chemistry: CCSD=FULL/cc-pVDZ

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=FULL/cc-pVDZ

States and conformations

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