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	hartrees
Energy at 0K	-311.958164
Energy at 298.15K
HF Energy	-311.487205
Nuclear repulsion energy	69.365213

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1198	1128	0.01
2	A₁	439	413	49.59
3	B₂	383	360	2.69

Atom	y (Å)	z (Å)
Na1	0.000	1.187
O2	0.670	-0.816
O3	-0.670	-0.816

	Na1	O2	O3
Na1		2.1115	2.1115
O2	2.1115		1.3409
O3	2.1115	1.3409

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Na1	O2	O3	71.487		Na1	O3	O2	71.487
O2	Na1	O3	37.026

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

using model chemistry: CCSD=FULL/6-31G(2df,p)

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/6-31G(2df,p)

States and conformations

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