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	hartrees
Energy at 0K	-311.931798
Energy at 298.15K
HF Energy	-311.506712
Nuclear repulsion energy	66.617128

Atom	y (Å)	z (Å)
Na1	0.000	1.237
O2	0.696	-0.851
O3	-0.696	-0.851

	Na1	O2	O3
Na1		2.2011	2.2011
O2	2.2011		1.3928
O3	2.2011	1.3928

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Na1	O2	O3	71.555		Na1	O3	O2	71.555
O2	Na1	O3	36.890

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

using model chemistry: MP4/daug-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/daug-cc-pVDZ

States and conformations

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