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	hartrees
Energy at 0K
Energy at 298.15K	-0.037245
HF Energy	-0.037245
Nuclear repulsion energy	36.796336

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A₁	1470	1432	10.81	38.73	0.54	0.70
2	A₁	529	515	59.29	8.18	0.33	0.49
3	B₂	428	417	2.09	0.14	0.75	0.86

Atom	y (Å)	z (Å)
Na1	0.000	1.155
O2	0.635	-0.794
O3	-0.635	-0.794

	Na1	O2	O3
Na1		2.0498	2.0498
O2	2.0498		1.2702
O3	2.0498	1.2702

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Na1	O2	O3	71.950		Na1	O3	O2	71.950
O2	Na1	O3	36.100

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

using model chemistry: PM3

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: PM3

States and conformations

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