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	hartrees
Energy at 0K	-311.926344
Energy at 298.15K
HF Energy	-311.486443
Nuclear repulsion energy	68.094084

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1289	1221	36.11
2	A₁	463	439	88.86
3	B₂	452	428	163.19

Atom	y (Å)	z (Å)
Na1	0.000	1.225
O2	0.671	-0.842
O3	-0.671	-0.842

	Na1	O2	O3
Na1		2.1737	2.1737
O2	2.1737		1.3414
O3	2.1737	1.3414

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Na1	O2	O3	72.028		Na1	O3	O2	72.028
O2	Na1	O3	35.944

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

using model chemistry: CCD/6-31G(2df,p)

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/6-31G(2df,p)

States and conformations

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