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	hartrees
Energy at 0K	-311.930446
Energy at 298.15K
HF Energy	-311.532328
Nuclear repulsion energy	67.014562

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	1056	1001	9.20	21.85	0.33	0.50
2	A₁	414	392	67.22	0.00	0.33	0.50
3	B₂	1834	1739	335315.30	0.00	0.75	0.86

Atom	y (Å)	z (Å)
Na1	0.000	1.235
O2	0.689	-0.849
O3	-0.689	-0.849

	Na1	O2	O3
Na1		2.1944	2.1944
O2	2.1944		1.3783
O3	2.1944	1.3783

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Na1	O2	O3	71.697		Na1	O3	O2	71.697
O2	Na1	O3	36.606

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

using model chemistry: MP2/TZVP

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/TZVP

States and conformations

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