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	hartrees
Energy at 0K	-312.020512
Energy at 298.15K
HF Energy	-311.546057
Nuclear repulsion energy	67.418636

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1211	1157	22.70
2	A₁	434	415	77.93
3	B₂	306	292	3.70

Atom	y (Å)	z (Å)
Na1	0.000	1.239
O2	0.677	-0.852
O3	-0.677	-0.852

	Na1	O2	O3
Na1		2.1970	2.1970
O2	2.1970		1.3532
O3	2.1970	1.3532

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Na1	O2	O3	72.064		Na1	O3	O2	72.064
O2	Na1	O3	35.873

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

using model chemistry: QCISD/cc-pVTZ

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/cc-pVTZ

States and conformations

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