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	hartrees
Energy at 0K	-311.929707
Energy at 298.15K
HF Energy	-311.506011
Nuclear repulsion energy	66.609869

Atom	y (Å)	z (Å)
Na1	0.000	1.237
O2	0.697	-0.851
O3	-0.697	-0.851

	Na1	O2	O3
Na1		2.2009	2.2009
O2	2.2009		1.3933
O3	2.2009	1.3933

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Na1	O2	O3	71.547		Na1	O3	O2	71.547
O2	Na1	O3	36.906

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

using model chemistry: MP4/aug-cc-pVDZ

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: MP4/aug-cc-pVDZ

States and conformations

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