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	hartrees
Energy at 0K	-312.176615
Energy at 298.15K
HF Energy	-311.552797
Nuclear repulsion energy	72.702653

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	1100	1052	0.11	1578057.00	0.33	0.50
2	A₁	531	508	46.73	872.74	0.31	0.47
3	B₂	600	573	1110.23	191.80	0.75	0.86

Atom	y (Å)	z (Å)
Na1	0.000	1.086
O2	0.677	-0.747
O3	-0.677	-0.747

	Na1	O2	O3
Na1		1.9533	1.9533
O2	1.9533		1.3535
O3	1.9533	1.3535

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Na1	O2	O3	69.729		Na1	O3	O2	69.729
O2	Na1	O3	40.543

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

using model chemistry: MP2=FULL/aug-cc-pVQZ

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: MP2=FULL/aug-cc-pVQZ

States and conformations

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