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	hartrees
Energy at 0K	-311.866054
Energy at 298.15K
HF Energy	-311.494961
Nuclear repulsion energy	67.349900

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	1070	1019	8.19	0.00	0.33	0.50
2	A₁	436	415	57.70	551359.50	0.33	0.50
3	B₂	1178	1122	36905.41	2723.30	0.75	0.86

Atom	y (Å)	z (Å)
Na1	0.000	1.225
O2	0.688	-0.842
O3	-0.688	-0.842

	Na1	O2	O3
Na1		2.1792	2.1792
O2	2.1792		1.3760
O3	2.1792	1.3760

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Na1	O2	O3	71.596		Na1	O3	O2	71.596
O2	Na1	O3	36.808

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

using model chemistry: MP2/cc-pVDZ

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-pVDZ

States and conformations

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