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	hartrees
Energy at 0K	-311.810171
Energy at 298.15K
HF Energy	-311.472383
Nuclear repulsion energy	68.208875

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1264	1171	10.62
2	A₁	453	419	71.13
3	B₂	437	405	88.90

Atom	y (Å)	z (Å)
Na1	0.000	1.216
O2	0.675	-0.836
O3	-0.675	-0.836

	Na1	O2	O3
Na1		2.1604	2.1604
O2	2.1604		1.3493
O3	2.1604	1.3493

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Na1	O2	O3	71.803		Na1	O3	O2	71.803
O2	Na1	O3	36.393

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

using model chemistry: CISD/6-31G*

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: CISD/6-31G*

States and conformations

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