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	hartrees
Energy at 0K	-312.450642
Energy at 298.15K
HF Energy	-312.312883
Nuclear repulsion energy	68.427465

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	1073	1032	0.36	9.80	0.26	0.42
2	A₁	425	408	54.88	4.97	0.09	0.17
3	B₂	354	341	5.44	3.72	0.75	0.86

Atom	y (Å)	z (Å)
Na1	0.000	1.198
O2	0.683	-0.824
O3	-0.683	-0.824

	Na1	O2	O3
Na1		2.1346	2.1346
O2	2.1346		1.3658
O3	2.1346	1.3658

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Na1	O2	O3	71.342		Na1	O3	O2	71.342
O2	Na1	O3	37.316

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

using model chemistry: B2PLYP=FULL/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: B2PLYP=FULL/aug-cc-pVDZ

States and conformations

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