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	hartrees
Energy at 0K	-311.904429
Energy at 298.15K
HF Energy	-311.511630
Nuclear repulsion energy	67.515445

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1220	1177	24.64
2	A₁	437	421	92.80
3	B₂	449	433	307.41

Atom	y (Å)	z (Å)
Na1	0.000	1.236
O2	0.676	-0.850
O3	-0.676	-0.850

	Na1	O2	O3
Na1		2.1930	2.1930
O2	2.1930		1.3522
O3	2.1930	1.3522

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Na1	O2	O3	72.043		Na1	O3	O2	72.043
O2	Na1	O3	35.915

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

using model chemistry: CCD/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: CCD/aug-cc-pVDZ

States and conformations

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