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	hartrees
Energy at 0K	-312.070243
Energy at 298.15K
HF Energy	-311.518468
Nuclear repulsion energy	69.042118

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1253	1253	0.61
2	A₁	445	445	51.81
3	B₂	443	443	97.91

Atom	y (Å)	z (Å)
Na1	0.000	1.204
O2	0.665	-0.828
O3	-0.665	-0.828

	Na1	O2	O3
Na1		2.1381	2.1381
O2	2.1381		1.3290
O3	2.1381	1.3290

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Na1	O2	O3	71.893		Na1	O3	O2	71.893
O2	Na1	O3	36.213

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

using model chemistry: MP3=FULL/6-311G**

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=FULL/6-311G**

States and conformations

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