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	hartrees
Energy at 0K	-311.843079
Energy at 298.15K
HF Energy	-311.499037
Nuclear repulsion energy	68.159312

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1264	1165	19.76
2	A₁	449	414	69.60
3	B₂	402	370	38.90

Atom	y (Å)	z (Å)
Na1	0.000	1.224
O2	0.670	-0.841
O3	-0.670	-0.841

	Na1	O2	O3
Na1		2.1712	2.1712
O2	2.1712		1.3406
O3	2.1712	1.3406

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Na1	O2	O3	72.018		Na1	O3	O2	72.018
O2	Na1	O3	35.963

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

using model chemistry: CISD/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: CISD/cc-pVDZ

States and conformations

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