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	hartrees
Energy at 0K	-309.923359
Energy at 298.15K
HF Energy	-309.691936
Nuclear repulsion energy	67.853068

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1186	1104	2.83
2	A₁	486	452	58.28
3	B₂	556	518	422.79

Atom	y (Å)	z (Å)
Na1	0.000	1.172
O2	0.718	-0.806
O3	-0.718	-0.806

	Na1	O2	O3
Na1		2.1036	2.1036
O2	2.1036		1.4363
O3	2.1036	1.4363

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Na1	O2	O3	70.038		Na1	O3	O2	70.038
O2	Na1	O3	39.925

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

using model chemistry: CID/3-21G*

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: CID/3-21G*

States and conformations

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