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State	Conformation	minimum conformation	conformer description	state description
1	1	yes	CS	²A^"
1	2	no	C*V	²Π

	hartrees
Energy at 0K	-149.910945
Energy at 298.15K
HF Energy	-149.910945
Nuclear repulsion energy	30.672528

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	-0.592
O2	0.000	0.000	0.788
H3	0.000	0.000	-1.567

	O1	O2	H3
O1		1.3805	0.9749
O2	1.3805		2.3554
H3	0.9749	2.3554

Number	Element	Mulliken
1	O	-0.478
2	O	-0.020
3	H	0.499

All results from a given calculation for HO₂ (Hydroperoxy radical)

using model chemistry: M06-2X/3-21G*

States and conformations

Conformer 1 (CS)

Conformer 2 (C*V)

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3820	3619	550.84
2	Σ	1293	1225	29.78
3	Π	1226i	1161i	424.96
4	Π	1566i	1483i	554.89

	x	y	z
x	0.798	0.330	0.000
y	0.330	2.033	0.000
z	0.000	0.000	0.337

<r²>	15.908
(<r²>)^1/2	3.989

<r²>	15.908
(<r²>)^1/2	3.989

All results from a given calculation for HO2 (Hydroperoxy radical)

using model chemistry: M06-2X/3-21G*

States and conformations

Conformer 1 (CS)

Conformer 2 (C*V)

All results from a given calculation for HO₂ (Hydroperoxy radical)