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	hartrees
Energy at 0K	-311.464731
Energy at 298.15K
HF Energy	-311.464731
Nuclear repulsion energy	70.217581

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1455	1243	0.29
2	A₁	452	386	57.73
3	B₂	327	279	28.91

Atom	y (Å)	z (Å)
Na1	0.000	1.193
O2	0.647	-0.820
O3	-0.647	-0.820

	Na1	O2	O3
Na1		2.1149	2.1149
O2	2.1149		1.2937
O3	2.1149	1.2937

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Na1	O2	O3	72.191		Na1	O3	O2	72.191
O2	Na1	O3	35.618

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

using model chemistry: ROHF/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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Number	Element	Mulliken
1	Na	0.770
2	O	-0.385
3	O	-0.385

	x	y	z	Total
	0.000	0.000	8.305	8.305
CHELPG
AIM
ESP

<r²>	42.168
(<r²>)^1/2	6.494

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

using model chemistry: ROHF/6-31G**

States and conformations

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