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	hartrees
Energy at 0K	-311.852125
Energy at 298.15K
HF Energy	-311.466445
Nuclear repulsion energy	67.167019

Atom	y (Å)	z (Å)
Na1	0.000	1.219
O2	0.697	-0.838
O3	-0.697	-0.838

	Na1	O2	O3
Na1		2.1722	2.1722
O2	2.1722		1.3934
O3	2.1722	1.3934

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Na1	O2	O3	71.292		Na1	O3	O2	71.292
O2	Na1	O3	37.415

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

using model chemistry: MP4/6-31G*

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: MP4/6-31G*

States and conformations

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