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	hartrees
Energy at 0K	-311.913400
Energy at 298.15K
HF Energy	-311.515845
Nuclear repulsion energy	67.804174

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1203	1152	18.34
2	A₁	447	428	70.19
3	B₂	301	288	14.83

Atom	y (Å)	z (Å)
Na1	0.000	1.227
O2	0.676	-0.844
O3	-0.676	-0.844

	Na1	O2	O3
Na1		2.1782	2.1782
O2	2.1782		1.3522
O3	2.1782	1.3522

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Na1	O2	O3	71.917		Na1	O3	O2	71.917
O2	Na1	O3	36.165

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

using model chemistry: QCISD/6-311G*

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: QCISD/6-311G*

States and conformations

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