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	hartrees
Energy at 0K	-312.032393
Energy at 298.15K
HF Energy	-311.537350
Nuclear repulsion energy	68.570811

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1230	1149	1.03
2	A₁	415	387	55.69
3	B₂	438	409	180.03

Atom	y (Å)	z (Å)
Na1	0.000	1.214
O2	0.668	-0.834
O3	-0.668	-0.834

	Na1	O2	O3
Na1		2.1545	2.1545
O2	2.1545		1.3364
O3	2.1545	1.3364

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Na1	O2	O3	71.932		Na1	O3	O2	71.932
O2	Na1	O3	36.137

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

using model chemistry: MP3=FULL/TZVP

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/TZVP

States and conformations

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