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	hartrees
Energy at 0K	-312.074923
Energy at 298.15K
HF Energy	-311.558080
Nuclear repulsion energy	67.059839

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	1121	1065	21.14	0.00	0.33	0.50
2	A₁	426	405	86.14	78607.76	0.32	0.49
3	B₂	706	670	5044.15	1422.29	0.75	0.86

Atom	y (Å)	z (Å)
Na1	0.000	1.242
O2	0.683	-0.854
O3	-0.683	-0.854

	Na1	O2	O3
Na1		2.2040	2.2040
O2	2.2040		1.3655
O3	2.2040	1.3655

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Na1	O2	O3	71.955		Na1	O3	O2	71.955
O2	Na1	O3	36.090

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

using model chemistry: MP2/aug-cc-pVQZ

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/aug-cc-pVQZ

States and conformations

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