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	hartrees
Energy at 0K	-610.514415
Energy at 298.15K	-610.514872
HF Energy	-610.514415
Nuclear repulsion energy	88.647433

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1432	1410	252.73
2	A'	468	461	25.74
3	A'	245	241	28.65

Atom	x (Å)	y (Å)
Cl1	-0.559	-1.013
O2	0.000	0.961
O3	1.189	1.190

	Cl1	O2	O3
Cl1		2.0517	2.8123
O2	2.0517		1.2105
O3	2.8123	1.2105

Number	Element	Mulliken
1	Cl	-0.053
2	O	0.054
3	O	-0.001

All results from a given calculation for ClOO (chloroperoxy radical)

using model chemistry: B97D3/aug-cc-pVTZ

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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	x	y	z	Total
	0.444	1.119	0.000	1.204
CHELPG
AIM
ESP

	x	y	z
x	5.224	2.279	0.000
y	2.279	7.036	0.000
z	0.000	0.000	3.300

<r²>	66.920
(<r²>)^1/2	8.180