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	hartrees
Energy at 0K	-150.068933
Energy at 298.15K	-150.070021
HF Energy	-150.068933
Nuclear repulsion energy	30.213011

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3293	3168	1.98
2	A'	1341	1290	36.51
3	A'	1097	1055	30.47

Atom	x (Å)	y (Å)
O1	0.056	-0.643
O2	0.056	0.761
H3	-0.904	-0.941

	O1	O2	H3
O1		1.4042	1.0055
O2	1.4042		1.9544
H3	1.0055	1.9544

Number	Element	Mulliken
1	O	-0.279
2	O	-0.103
3	H	0.382

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

using model chemistry: B3LYP/3-21G*

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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You are here: Calculated > Energy > Optimized > Energy

	x	y	z	Total
	-1.973	-1.120	0.000	2.269
CHELPG
AIM
ESP

	x	y	z
x	0.841	0.339	0.000
y	0.339	1.986	0.000
z	0.000	0.000	0.337

<r²>	16.119
(<r²>)^1/2	4.015

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

using model chemistry: B3LYP/3-21G*

States and conformations

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