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	hartrees
Energy at 0K	-311.920527
Energy at 298.15K
HF Energy	-311.512001
Nuclear repulsion energy	68.692560

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1134	1134	0.12
2	A₁	417	417	57.15
3	B₂	347	347	3.20

Atom	y (Å)	z (Å)
Na1	0.000	1.197
O2	0.678	-0.823
O3	-0.678	-0.823

	Na1	O2	O3
Na1		2.1309	2.1309
O2	2.1309		1.3555
O3	2.1309	1.3555

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Na1	O2	O3	71.455		Na1	O3	O2	71.455
O2	Na1	O3	37.091

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

using model chemistry: CCSD=FULL/aug-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: CCSD=FULL/aug-cc-pVDZ

States and conformations

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