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	hartrees
Energy at 0K	-150.872567
Energy at 298.15K	-150.873679
HF Energy	-150.872567
Nuclear repulsion energy	32.563155

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3698	3698	43.58
2	A'	1479	1479	42.87
3	A'	1265	1265	39.62

Atom	x (Å)	y (Å)
O1	0.055	-0.600
O2	0.055	0.708
H3	-0.884	-0.864

	O1	O2	H3
O1		1.3071	0.9754
O2	1.3071		1.8304
H3	0.9754	1.8304

Number	Element	Mulliken
1	O	-0.039
2	O	-0.167
3	H	0.206

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

using model chemistry: M06-2X/aug-cc-pVDZ

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
	-1.707	-1.446	0.000	2.237
CHELPG
AIM
ESP

	x	y	z
x	1.582	0.217	0.000
y	0.217	2.582	0.000
z	0.000	0.000	1.300

<r²>	15.148
(<r²>)^1/2	3.892

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

using model chemistry: M06-2X/aug-cc-pVDZ

States and conformations

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