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	hartrees
Energy at 0K	-307.584926
Energy at 298.15K
HF Energy	-307.482366
Nuclear repulsion energy	72.319022

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	1238	1238
2	A₁	736	736
3	B₂	800	800

Atom	y (Å)	z (Å)
Na1	0.000	1.064
O2	0.705	-0.732
O3	-0.705	-0.732

	Na1	O2	O3
Na1		1.9292	1.9292
O2	1.9292		1.4093
O3	1.9292	1.4093

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Na1	O2	O3	68.577		Na1	O3	O2	68.577
O2	Na1	O3	42.846

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

using model chemistry: ROMP2/STO-3G

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	0.708
2	O	-0.354
3	O	-0.354

<r²>	36.758
(<r²>)^1/2	6.063

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

using model chemistry: ROMP2/STO-3G

States and conformations

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