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	hartrees
Energy at 0K	-311.696866
Energy at 298.15K
HF Energy	-311.393514
Nuclear repulsion energy	64.589370

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	707	707
2	A₁	420	420
3	B₂	379	379

Atom	y (Å)	z (Å)
Na1	0.000	1.213
O2	0.770	-0.834
O3	-0.770	-0.834

	Na1	O2	O3
Na1		2.1871	2.1871
O2	2.1871		1.5398
O3	2.1871	1.5398

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Na1	O2	O3	69.389		Na1	O3	O2	69.389
O2	Na1	O3	41.222

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

using model chemistry: ROMP2/6-31G

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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Number	Element	Mulliken
1	Na	0.841
2	O	-0.420
3	O	-0.420

<r²>	46.238
(<r²>)^1/2	6.800

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

using model chemistry: ROMP2/6-31G

States and conformations

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