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	hartrees
Energy at 0K	-312.009243
Energy at 298.15K
HF Energy	-311.534898
Nuclear repulsion energy	67.632271

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1254	1182	40.35
2	A₁	436	411	98.42
3	B₂	326	308	3.63

Atom	y (Å)	z (Å)
Na1	0.000	1.237
O2	0.673	-0.851
O3	-0.673	-0.851

	Na1	O2	O3
Na1		2.1935	2.1935
O2	2.1935		1.3454
O3	2.1935	1.3454

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Na1	O2	O3	72.140		Na1	O3	O2	72.140
O2	Na1	O3	35.719

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

using model chemistry: CCSD/6-311+G(3df,2p)

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/6-311+G(3df,2p)

States and conformations

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