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	hartrees
Energy at 0K	-311.872260
Energy at 298.15K
HF Energy	-311.495984
Nuclear repulsion energy	67.894691

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	1052	1000	0.26	0.00	0.33	0.50
2	A₁	424	403	42.38	10406.41	0.33	0.49
3	B₂	938	892	12821.92	107.00	0.75	0.86

Atom	y (Å)	z (Å)
Na1	0.000	1.212
O2	0.685	-0.833
O3	-0.685	-0.833

	Na1	O2	O3
Na1		2.1565	2.1565
O2	2.1565		1.3708
O3	2.1565	1.3708

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Na1	O2	O3	71.468		Na1	O3	O2	71.468
O2	Na1	O3	37.064

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

using model chemistry: MP2=FULL/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=FULL/cc-pVDZ

States and conformations

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