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	hartrees
Energy at 0K	-308.274013
Energy at 298.15K
HF Energy	-308.223343
Nuclear repulsion energy	72.242897

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	1324	1324	2.01	26.55	0.43	0.60
2	A₁	718	718	65.81	0.83	0.26	0.41
3	B₂	588	588	1.35	1.99	0.75	0.86

Atom	y (Å)	z (Å)
Na1	0.000	1.071
O2	0.700	-0.736
O3	-0.700	-0.736

	Na1	O2	O3
Na1		1.9379	1.9379
O2	1.9379		1.4004
O3	1.9379	1.4004

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Na1	O2	O3	68.819		Na1	O3	O2	68.819
O2	Na1	O3	42.362

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

using model chemistry: B2PLYP=FULLultrafine/STO-3G

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=FULLultrafine/STO-3G

States and conformations

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