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	hartrees
Energy at 0K	-312.249569
Energy at 298.15K
HF Energy	-311.548314
Nuclear repulsion energy	68.781112

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	1114	1114
2	A₁	425	425
3	B₂	361	361

Atom	y (Å)	z (Å)
Na1	0.000	1.192
O2	0.679	-0.819
O3	-0.679	-0.819

	Na1	O2	O3
Na1		2.1230	2.1230
O2	2.1230		1.3588
O3	2.1230	1.3588

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Na1	O2	O3	71.335		Na1	O3	O2	71.335
O2	Na1	O3	37.330

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

using model chemistry: QCISD(T)=FULL/Def2TZVPP

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(T)=FULL/Def2TZVPP

States and conformations

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