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	hartrees
Energy at 0K	-150.872841
Energy at 298.15K	-150.873948
HF Energy	-150.872841
Nuclear repulsion energy	32.355751

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3670	3493	32.09
2	A'	1455	1385	33.60
3	A'	1225	1166	35.62

Atom	x (Å)	y (Å)
O1	0.055	-0.604
O2	0.055	0.713
H3	-0.883	-0.869

	O1	O2	H3
O1		1.3171	0.9752
O2	1.3171		1.8394
H3	0.9752	1.8394

Number	Element	Mulliken
1	O	-0.229
2	O	-0.144
3	H	0.373

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

using model chemistry: mPW1PW91/6-31+G**

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
	-1.853	-1.480	0.000	2.371
CHELPG
AIM
ESP

	x	y	z
x	1.320	0.211	0.000
y	0.211	2.418	0.000
z	0.000	0.000	1.045

<r²>	15.253
(<r²>)^1/2	3.905

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

using model chemistry: mPW1PW91/6-31+G**

States and conformations

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