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	hartrees
Energy at 0K	-311.470674
Energy at 298.15K
HF Energy	-311.470674
Nuclear repulsion energy	69.937444

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1443	1235	0.25
2	A₁	432	370	63.27
3	B₂	297	254	42.78

Atom	y (Å)	z (Å)
Na1	0.000	1.202
O2	0.646	-0.826
O3	-0.646	-0.826

	Na1	O2	O3
Na1		2.1291	2.1291
O2	2.1291		1.2930
O3	2.1291	1.2930

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Na1	O2	O3	72.323		Na1	O3	O2	72.323
O2	Na1	O3	35.354

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

using model chemistry: ROHF/6-31+G**

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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Number	Element	Mulliken
1	Na	0.820
2	O	-0.410
3	O	-0.410

	x	y	z	Total
	0.000	0.000	8.640	8.640
CHELPG
AIM
ESP

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

using model chemistry: ROHF/6-31+G**

States and conformations

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