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	hartrees
Energy at 0K	-150.904394
Energy at 298.15K	-150.905493
HF Energy	-150.904394
Nuclear repulsion energy	31.928945

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3554	3407	8.72
2	A'	1421	1362	36.70
3	A'	1157	1110	28.26

Atom	x (Å)	y (Å)
O1	0.056	-0.614
O2	0.056	0.723
H3	-0.894	-0.866

	O1	O2	H3
O1		1.3369	0.9826
O2	1.3369		1.8512
H3	0.9826	1.8512

Number	Element	Mulliken
1	O	-0.200
2	O	-0.158
3	H	0.358

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

using model chemistry: TPSSh/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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You are here: Calculated > Energy > Optimized > Energy

	x	y	z	Total
	-1.778	-1.390	0.000	2.257
CHELPG
AIM
ESP

	x	y	z
x	1.107	0.282	0.000
y	0.282	2.133	0.000
z	0.000	0.000	0.699

<r²>	15.217
(<r²>)^1/2	3.901

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

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

States and conformations

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