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	hartrees
Energy at 0K	-31.860700
Energy at 298.15K
HF Energy	-31.484634
Nuclear repulsion energy	16.601377

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	1047	998	0.48	0.00	0.33	0.50
2	A₁	395	376	47.77	333905.40	0.33	0.50
3	B₂	7857	7486	0.00	0.00	0.75	0.86

Atom	y (Å)	z (Å)
Na1	0.000	1.207
O2	0.698	-0.830
O3	-0.698	-0.830

	Na1	O2	O3
Na1		2.1529	2.1529
O2	2.1529		1.3954
O3	2.1529	1.3954

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Na1	O2	O3	71.090		Na1	O3	O2	71.090
O2	Na1	O3	37.820

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

using model chemistry: MP2/CEP-121G*

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/CEP-121G*

States and conformations

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