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	hartrees
Energy at 0K	-31.832173
Energy at 298.15K
HF Energy	-31.477373
Nuclear repulsion energy	16.472186

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	1043	990	0.68	0.00	0.33	0.50
2	A₁	398	378	58.78	6615.22	0.34	0.51
3	B₂	537625	510422	0.00	0.00	0.75	0.86

Atom	y (Å)	z (Å)
Na1	0.000	1.254
O2	0.699	-0.862
O3	-0.699	-0.862

	Na1	O2	O3
Na1		2.2286	2.2286
O2	2.2286		1.3984
O3	2.2286	1.3984

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Na1	O2	O3	71.715		Na1	O3	O2	71.715
O2	Na1	O3	36.570

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

using model chemistry: MP2/CEP-31G*

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-31G*

States and conformations

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