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	hartrees
Energy at 0K	-312.526305
Energy at 298.15K
HF Energy	-312.351433
Nuclear repulsion energy	68.538882

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	1090	1046	0.22	11.13	0.25	0.40
2	A₁	419	402	52.60	6.10	0.07	0.13
3	B₂	359	344	5.56	3.10	0.75	0.86

Atom	y (Å)	z (Å)
Na1	0.000	1.199
O2	0.680	-0.824
O3	-0.680	-0.824

	Na1	O2	O3
Na1		2.1342	2.1342
O2	2.1342		1.3602
O3	2.1342	1.3602

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Na1	O2	O3	71.418		Na1	O3	O2	71.418
O2	Na1	O3	37.165

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

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

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-pVTZ

States and conformations

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