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	hartrees
Energy at 0K	-309.955060
Energy at 298.15K
HF Energy	-309.685984
Nuclear repulsion energy	67.109463

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A₁	968	918	0.19	1284.95	0.41	0.58
2	A₁	459	435	38.71	2.40	0.65	0.79
3	B₂	499	473	185.26	72.11	0.75	0.86

Atom	y (Å)	z (Å)
Na1	0.000	1.166
O2	0.742	-0.802
O3	-0.742	-0.802

	Na1	O2	O3
Na1		2.1031	2.1031
O2	2.1031		1.4838
O3	2.1031	1.4838

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Na1	O2	O3	69.344		Na1	O3	O2	69.344
O2	Na1	O3	41.312

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

using model chemistry: MP2=FULL/3-21G*

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: MP2=FULL/3-21G*

States and conformations

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