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	hartrees
Energy at 0K	-312.009959
Energy at 298.15K
HF Energy	-311.549955
Nuclear repulsion energy	68.051921

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1309	1309	51.96
2	A₁	443	443	100.34
3	B₂	415	415	139.23

Atom	y (Å)	z (Å)
Na1	0.000	1.229
O2	0.669	-0.845
O3	-0.669	-0.845

	Na1	O2	O3
Na1		2.1796	2.1796
O2	2.1796		1.3375
O3	2.1796	1.3375

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Na1	O2	O3	72.133		Na1	O3	O2	72.133
O2	Na1	O3	35.734

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

using model chemistry: MP3/Def2TZVPP

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/Def2TZVPP

States and conformations

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