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	hartrees
Energy at 0K	-311.911678
Energy at 298.15K
HF Energy	-311.516164
Nuclear repulsion energy	67.881725

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1222	1222	20.08
2	A₁	450	450	73.97
3	B₂	346	346	0.57

Atom	y (Å)	z (Å)
Na1	0.000	1.226
O2	0.675	-0.843
O3	-0.675	-0.843

	Na1	O2	O3
Na1		2.1768	2.1768
O2	2.1768		1.3495
O3	2.1768	1.3495

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Na1	O2	O3	71.942		Na1	O3	O2	71.942
O2	Na1	O3	36.115

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

using model chemistry: CCSD/6-311G**

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/6-311G**

States and conformations

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