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	hartrees
Energy at 0K	-312.077534
Energy at 298.15K
HF Energy	-311.552218
Nuclear repulsion energy	70.600642

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1249	1249	0.11
2	A₁	434	434	54.55
3	B₂	406	406	58.45

Atom	y (Å)	z (Å)
Na1	0.000	1.161
O2	0.662	-0.798
O3	-0.662	-0.798

	Na1	O2	O3
Na1		2.0680	2.0680
O2	2.0680		1.3248
O3	2.0680	1.3248

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Na1	O2	O3	71.319		Na1	O3	O2	71.319
O2	Na1	O3	37.363

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

using model chemistry: MP3=FULL/daug-cc-pVTZ

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: MP3=FULL/daug-cc-pVTZ

States and conformations

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