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	hartrees
Energy at 0K	-312.441013
Energy at 298.15K
HF Energy	-312.285953
Nuclear repulsion energy	69.007823

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	1111	1111	0.08	5.08	0.35	0.52
2	A₁	445	445	45.67	4.47	0.09	0.17
3	B₂	384	384	4.56	2.95	0.75	0.86

Atom	y (Å)	z (Å)
Na1	0.000	1.186
O2	0.679	-0.815
O3	-0.679	-0.815

	Na1	O2	O3
Na1		2.1131	2.1131
O2	2.1131		1.3584
O3	2.1131	1.3584

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Na1	O2	O3	71.251		Na1	O3	O2	71.251
O2	Na1	O3	37.498

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

using model chemistry: B2PLYP=FULL/6-31G(2df,p)

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/6-31G(2df,p)

States and conformations

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