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	hartrees
Energy at 0K	-312.065034
Energy at 298.15K
HF Energy	-311.559390
Nuclear repulsion energy	67.508942

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1249	1187	38.19
2	A₁	438	416	93.49
3	B₂	330	314	3.03

Atom	y (Å)	z (Å)
Na1	0.000	1.241
O2	0.673	-0.853
O3	-0.673	-0.853

	Na1	O2	O3
Na1		2.1995	2.1995
O2	2.1995		1.3458
O3	2.1995	1.3458

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Na1	O2	O3	72.187		Na1	O3	O2	72.187
O2	Na1	O3	35.627

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

using model chemistry: CCSD/cc-pVQZ

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/cc-pVQZ

States and conformations

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