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	hartrees
Energy at 0K	-311.932658
Energy at 298.15K
HF Energy	-311.485579
Nuclear repulsion energy	67.915663

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1238	1171	25.01
2	A₁	459	434	82.55
3	B₂	356	337	2.53

Atom	y (Å)	z (Å)
Na1	0.000	1.225
O2	0.675	-0.842
O3	-0.675	-0.842

	Na1	O2	O3
Na1		2.1747	2.1747
O2	2.1747		1.3499
O3	2.1747	1.3499

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Na1	O2	O3	71.919		Na1	O3	O2	71.919
O2	Na1	O3	36.161

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

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

States and conformations

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