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	hartrees
Energy at 0K	-311.938226
Energy at 298.15K
HF Energy	-311.507796
Nuclear repulsion energy	67.926037

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	1545	1506
2	A₁	409	399
3	B₂	1024	999

Atom	y (Å)	z (Å)
Na1	0.000	1.200
O2	0.694	-0.825
O3	-0.694	-0.825

	Na1	O2	O3
Na1		2.1399	2.1399
O2	2.1399		1.3871
O3	2.1399	1.3871

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Na1	O2	O3	71.089		Na1	O3	O2	71.089
O2	Na1	O3	37.822

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

using model chemistry: MP4=FULL/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=FULL/aug-cc-pVDZ

States and conformations

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