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	hartrees
Energy at 0K	-150.899746
Energy at 298.15K	-150.900852
HF Energy	-150.899746
Nuclear repulsion energy	32.520345

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3670	3519	25.88
2	A'	1449	1389	31.81
3	A'	1221	1170	33.31

Atom	x (Å)	y (Å)
O1	0.055	-0.604
O2	0.055	0.712
H3	-0.882	-0.858

	O1	O2	H3
O1		1.3161	0.9710
O2	1.3161		1.8285
H3	0.9710	1.8285

Number	Element	Mulliken
1	O	-0.137
2	O	-0.147
3	H	0.283

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

using model chemistry: B1B95/6-311G*

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
	-1.824	-1.436	0.000	2.322
CHELPG
AIM
ESP

	x	y	z
x	0.999	0.255	0.000
y	0.255	2.091	0.000
z	0.000	0.000	0.684

<r²>	14.982
(<r²>)^1/2	3.871

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

using model chemistry: B1B95/6-311G*

States and conformations

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