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	hartrees
Energy at 0K	-311.905095
Energy at 298.15K
HF Energy	-311.517052
Nuclear repulsion energy	68.082286

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1272	1214	28.83
2	A₁	454	434	80.45
3	B₂	472	451	275.25

Atom	y (Å)	z (Å)
Na1	0.000	1.226
O2	0.671	-0.843
O3	-0.671	-0.843

	Na1	O2	O3
Na1		2.1746	2.1746
O2	2.1746		1.3411
O3	2.1746	1.3411

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Na1	O2	O3	72.039		Na1	O3	O2	72.039
O2	Na1	O3	35.921

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

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

States and conformations

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