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	hartrees
Energy at 0K	-312.028827
Energy at 298.15K
HF Energy	-311.528714
Nuclear repulsion energy	66.910099

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	987	987
2	A₁	425	425
3	B₂	496	496

Atom	y (Å)	z (Å)
Na1	0.000	1.226
O2	0.698	-0.843
O3	-0.698	-0.843

	Na1	O2	O3
Na1		2.1833	2.1833
O2	2.1833		1.3958
O3	2.1833	1.3958

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Na1	O2	O3	71.358		Na1	O3	O2	71.358
O2	Na1	O3	37.284

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

using model chemistry: ROMP2/Def2TZVPP

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	0.831
2	O	-0.415
3	O	-0.415

<r²>	44.947
(<r²>)^1/2	6.704

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

using model chemistry: ROMP2/Def2TZVPP

States and conformations

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