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	hartrees
Energy at 0K	-311.921439
Energy at 298.15K
HF Energy	-311.536565
Nuclear repulsion energy	67.842927

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1258	1177	22.21
2	A₁	425	398	80.43
3	B₂	446	417	286.81

Atom	y (Å)	z (Å)
Na1	0.000	1.233
O2	0.671	-0.848
O3	-0.671	-0.848

	Na1	O2	O3
Na1		2.1858	2.1858
O2	2.1858		1.3421
O3	2.1858	1.3421

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Na1	O2	O3	72.121		Na1	O3	O2	72.121
O2	Na1	O3	35.757

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

using model chemistry: MP3/TZVP

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: MP3/TZVP

States and conformations

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