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	hartrees
Energy at 0K	-312.068379
Energy at 298.15K
HF Energy	-311.557034
Nuclear repulsion energy	67.108038

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	1063	21.32	0.00	0.33	0.50
2	A₁	429	407	80.89	79680.58	0.32	0.49
3	B₂	724	687	5498.37	1077.61	0.75	0.86

Atom	y (Å)	z (Å)
Na1	0.000	1.240
O2	0.683	-0.852
O3	-0.683	-0.852

	Na1	O2	O3
Na1		2.2010	2.2010
O2	2.2010		1.3660
O3	2.2010	1.3660

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Na1	O2	O3	71.923		Na1	O3	O2	71.923
O2	Na1	O3	36.154

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

using model chemistry: MP2/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/cc-pVQZ

States and conformations

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